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

C12H11NO2 — CID 569246

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone
SMILESCc1nc(C(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C12H11NO2/c1-8-11(13-9(2)15-8)12(14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyQWPXFOAIOQSANN-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.52
Rot. Bonds2

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

(2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone (PubChem CID 569246) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone
PubChem CID569246
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone
SMILESCc1nc(C(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C12H11NO2/c1-8-11(13-9(2)15-8)12(14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyQWPXFOAIOQSANN-UHFFFAOYSA-N
XLogP2.52
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone (CID 569246) is (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone is Cc1nc(C(=O)c2ccccc2)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone?
The InChIKey is QWPXFOAIOQSANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-11(13-9(2)15-8)12(14)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone has a molecular weight of 201.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-phenylmethanone is sourced from PubChem (CID 569246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).