2-(chloromethyl)-4-phenyl-1,3-oxazole

C10H8ClNO — CID 15133748

IUPAC2-(chloromethyl)-4-phenyl-1,3-oxazole
SMILESClCc1nc(-c2ccccc2)co1
InChIInChI=1S/C10H8ClNO/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyVFSUTERTGVCGCD-UHFFFAOYSA-N
MW193.63 g/mol
LogP3.08
Rot. Bonds2

About 2-(chloromethyl)-4-phenyl-1,3-oxazole

2-(chloromethyl)-4-phenyl-1,3-oxazole (PubChem CID 15133748) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-(chloromethyl)-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-phenyl-1,3-oxazole
PubChem CID15133748
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name2-(chloromethyl)-4-phenyl-1,3-oxazole
SMILESClCc1nc(-c2ccccc2)co1
InChIInChI=1S/C10H8ClNO/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyVFSUTERTGVCGCD-UHFFFAOYSA-N
XLogP3.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-4-phenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-phenyl-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-4-phenyl-1,3-oxazole (CID 15133748) is 2-(chloromethyl)-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-4-phenyl-1,3-oxazole is ClCc1nc(-c2ccccc2)co1.
What is the InChIKey of 2-(chloromethyl)-4-phenyl-1,3-oxazole?
The InChIKey is VFSUTERTGVCGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 2-(chloromethyl)-4-phenyl-1,3-oxazole?
2-(chloromethyl)-4-phenyl-1,3-oxazole has a molecular weight of 193.63 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-phenyl-1,3-oxazole is sourced from PubChem (CID 15133748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).