5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole

C17H15NO — CID 11414009

IUPAC5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1ccccc1Cc1cnc(-c2ccccc2)o1
InChIInChI=1S/C17H15NO/c1-13-7-5-6-10-15(13)11-16-12-18-17(19-16)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3
InChIKeyVIIXUSZGSHGZNR-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.24
Rot. Bonds3

About 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole

5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole (PubChem CID 11414009) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
PubChem CID11414009
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1ccccc1Cc1cnc(-c2ccccc2)o1
InChIInChI=1S/C17H15NO/c1-13-7-5-6-10-15(13)11-16-12-18-17(19-16)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3
InChIKeyVIIXUSZGSHGZNR-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 5-[(2-methylphenyl)methyl]-2-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 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole (CID 11414009) is 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole is Cc1ccccc1Cc1cnc(-c2ccccc2)o1.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is VIIXUSZGSHGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-13-7-5-6-10-15(13)11-16-12-18-17(19-16)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole?
5-[(2-methylphenyl)methyl]-2-phenyl-1,3-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 5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 11414009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).