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

C12H13NO2 — CID 102359751

IUPAC(5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone
SMILESCC1(C)CC(C(=O)c2ccccc2)=NO1
InChIInChI=1S/C12H13NO2/c1-12(2)8-10(13-15-12)11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyXMGOWVFMBKQZKM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.42
Rot. Bonds2

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

(5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone (PubChem CID 102359751) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone
PubChem CID102359751
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone
SMILESCC1(C)CC(C(=O)c2ccccc2)=NO1
InChIInChI=1S/C12H13NO2/c1-12(2)8-10(13-15-12)11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyXMGOWVFMBKQZKM-UHFFFAOYSA-N
XLogP2.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone 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 (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone?
The IUPAC name of (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone (CID 102359751) is (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone.
What is the SMILES notation for (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone?
The canonical SMILES for (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone is CC1(C)CC(C(=O)c2ccccc2)=NO1.
What is the InChIKey of (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone?
The InChIKey is XMGOWVFMBKQZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)8-10(13-15-12)11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone?
(5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone has a molecular weight of 203.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone is sourced from PubChem (CID 102359751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).