5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one

C12H13NO2 — CID 171520460

IUPAC5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one
SMILESCC(C)c1ccccc1-c1cc(=O)[nH]o1
InChIInChI=1S/C12H13NO2/c1-8(2)9-5-3-4-6-10(9)11-7-12(14)13-15-11/h3-8H,1-2H3,(H,13,14)
InChIKeyBABJKNBZQFBSHD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.76
Rot. Bonds2

About 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one

5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one (PubChem CID 171520460) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one
PubChem CID171520460
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one
SMILESCC(C)c1ccccc1-c1cc(=O)[nH]o1
InChIInChI=1S/C12H13NO2/c1-8(2)9-5-3-4-6-10(9)11-7-12(14)13-15-11/h3-8H,1-2H3,(H,13,14)
InChIKeyBABJKNBZQFBSHD-UHFFFAOYSA-N
XLogP2.76
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-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 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one (CID 171520460) is 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one is CC(C)c1ccccc1-c1cc(=O)[nH]o1.
What is the InChIKey of 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one?
The InChIKey is BABJKNBZQFBSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(2)9-5-3-4-6-10(9)11-7-12(14)13-15-11/h3-8H,1-2H3,(H,13,14).
What are the key properties of 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one?
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one has a molecular weight of 203.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylphenyl)-1,2-oxazol-3-one is sourced from PubChem (CID 171520460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).