(2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone

C17H13NO2 — CID 122202756

IUPAC(2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone
SMILESCc1nc(-c2ccccc2)c(C(=O)c2ccccc2)o1
InChIInChI=1S/C17H13NO2/c1-12-18-15(13-8-4-2-5-9-13)17(20-12)16(19)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyGNRDFMSBYXYOBB-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.88
Rot. Bonds3

About (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone

(2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone (PubChem CID 122202756) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone
PubChem CID122202756
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone
SMILESCc1nc(-c2ccccc2)c(C(=O)c2ccccc2)o1
InChIInChI=1S/C17H13NO2/c1-12-18-15(13-8-4-2-5-9-13)17(20-12)16(19)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyGNRDFMSBYXYOBB-UHFFFAOYSA-N
XLogP3.88
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone?
The IUPAC name of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone (CID 122202756) is (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone is Cc1nc(-c2ccccc2)c(C(=O)c2ccccc2)o1.
What is the InChIKey of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone?
The InChIKey is GNRDFMSBYXYOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-18-15(13-8-4-2-5-9-13)17(20-12)16(19)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone?
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone has a molecular weight of 263.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenyl-1,3-oxazol-5-yl)-phenylmethanone is sourced from PubChem (CID 122202756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).