3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one

C16H13NO3 — CID 3027599

IUPAC3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C16H13NO3/c1-17-13-8-7-12(10-15(13)20-16(17)19)14(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyZSDNICMYZJQIMO-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.56
Rot. Bonds3

About 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one

3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one (PubChem CID 3027599) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one
PubChem CID3027599
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C16H13NO3/c1-17-13-8-7-12(10-15(13)20-16(17)19)14(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyZSDNICMYZJQIMO-UHFFFAOYSA-N
XLogP2.56
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one 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 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one (CID 3027599) is 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(=O)Cc3ccccc3)ccc21.
What is the InChIKey of 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one?
The InChIKey is ZSDNICMYZJQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-17-13-8-7-12(10-15(13)20-16(17)19)14(18)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one?
3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one has a molecular weight of 267.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-phenylacetyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 3027599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).