4-benzyl-3-methyl-5-phenyl-1,2-oxazole

C17H15NO — CID 14978502

IUPAC4-benzyl-3-methyl-5-phenyl-1,2-oxazole
SMILESCc1noc(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C17H15NO/c1-13-16(12-14-8-4-2-5-9-14)17(19-18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyCKRLFMMPXKLDSC-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.24
Rot. Bonds3

About 4-benzyl-3-methyl-5-phenyl-1,2-oxazole

4-benzyl-3-methyl-5-phenyl-1,2-oxazole (PubChem CID 14978502) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-benzyl-3-methyl-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-benzyl-3-methyl-5-phenyl-1,2-oxazole
PubChem CID14978502
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-benzyl-3-methyl-5-phenyl-1,2-oxazole
SMILESCc1noc(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C17H15NO/c1-13-16(12-14-8-4-2-5-9-14)17(19-18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyCKRLFMMPXKLDSC-UHFFFAOYSA-N
XLogP4.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-3-methyl-5-phenyl-1,2-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 4-benzyl-3-methyl-5-phenyl-1,2-oxazole?
The IUPAC name of 4-benzyl-3-methyl-5-phenyl-1,2-oxazole (CID 14978502) is 4-benzyl-3-methyl-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-benzyl-3-methyl-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-benzyl-3-methyl-5-phenyl-1,2-oxazole is Cc1noc(-c2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methyl-5-phenyl-1,2-oxazole?
The InChIKey is CKRLFMMPXKLDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-16(12-14-8-4-2-5-9-14)17(19-18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 4-benzyl-3-methyl-5-phenyl-1,2-oxazole?
4-benzyl-3-methyl-5-phenyl-1,2-oxazole has a molecular weight of 249.31 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-5-phenyl-1,2-oxazole is sourced from PubChem (CID 14978502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).