MolGraphRequest Quote

Research chemical

(S)-4-Benzyl-2-(pyrimidin-2-yl)-4,5-dihydrooxazole

CAS Number: 1831829-89-0

Chemical structure
(S)-4-Benzyl-2-(pyrimidin-2-yl)-4,5-dihydrooxazole molecular structure, CAS 1831829-89-0

Product details

Identity & specification

Molecular formula
C14H13N3O
Molecular weight
239.27 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

154728334

Exact Mass

239.10586

InChIKey

OJNKWODUMDTGIR-LBPRGKRZSA-N

IUPAC Name

(4S)-4-benzyl-2-pyrimidin-2-yl-4,5-dihydro-1,3-oxazole

SMILES String

[C@H]1(N=C(C2=NC=CC=N2)OC1)CC3=CC=CC=C3

Physical Properties

Appearance

Colorless to White to Yellow Solid or Semi-solid or liquid

Physical State

solid or liquid

Show more physical data

XLogP

2.1

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

18

H-bond acceptors

4

H-bond donors

0

Rotatable bonds

3

Ring count

3

Aromatic rings

2

Topological polar surface area

47.37 Ų

Computed LogP

1.86

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Research Catalog Compound - Request Quote and Documentation (CAS 1831829-89-0) is listed for N-heterocycle ligand sourcing for coordination chemistry research.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, with buyer review before selection.

Documentation needs

Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.

Applications & Classification

Research intermediateCustom synthesis building blockCatalysts & ligands sourcingN-heterocycle ligand sourcingResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, nitrogen oxides.

Disposal

  • The product Remaining and non-recyclable solutions should be handed over to a licensed company for disposal.
  • Contact a professional agency with a waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Procurement questions

What are the key identifiers for (S)-4-Benzyl-2-(pyrimidin-2-yl)-4,5-dihydrooxazole (CAS 1831829-89-0)?

(S)-4-Benzyl-2-(pyrimidin-2-yl)-4,5-dihydrooxazole is identified by CAS 1831829-89-0, with molecular formula C14H13N3O, molecular weight 239.27, InChIKey OJNKWODUMDTGIR-LBPRGKRZSA-N.

Can I request a COA for CAS 1831829-89-0?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for (S)-4-Benzyl-2-(pyrimidin-2-yl)-4,5-dihydrooxazole?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1831829-89-0 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.