4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one

C17H15NO2 — CID 13199481

IUPAC4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
SMILESCc1ccc(Cc2c(-c3ccccc3)[nH]oc2=O)cc1
InChIInChI=1S/C17H15NO2/c1-12-7-9-13(10-8-12)11-15-16(18-20-17(15)19)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3
InChIKeyDBMQQJPKRDSJAM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.53
Rot. Bonds3

About 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one

4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 13199481) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID13199481
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
SMILESCc1ccc(Cc2c(-c3ccccc3)[nH]oc2=O)cc1
InChIInChI=1S/C17H15NO2/c1-12-7-9-13(10-8-12)11-15-16(18-20-17(15)19)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3
InChIKeyDBMQQJPKRDSJAM-UHFFFAOYSA-N
XLogP3.53
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one (CID 13199481) is 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one is Cc1ccc(Cc2c(-c3ccccc3)[nH]oc2=O)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is DBMQQJPKRDSJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-7-9-13(10-8-12)11-15-16(18-20-17(15)19)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one?
4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 265.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 13199481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).