3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one

C10H8FNO2 — CID 130170888

IUPAC3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one
SMILESCc1ccc(-c2cc(=O)o[nH]2)cc1F
InChIInChI=1S/C10H8FNO2/c1-6-2-3-7(4-8(6)11)9-5-10(13)14-12-9/h2-5,12H,1H3
InChIKeyDFQCHIZIIUCQCA-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.08
Rot. Bonds1

About 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one

3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one (PubChem CID 130170888) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one
PubChem CID130170888
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one
SMILESCc1ccc(-c2cc(=O)o[nH]2)cc1F
InChIInChI=1S/C10H8FNO2/c1-6-2-3-7(4-8(6)11)9-5-10(13)14-12-9/h2-5,12H,1H3
InChIKeyDFQCHIZIIUCQCA-UHFFFAOYSA-N
XLogP2.08
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Phenylmaleisoimide
CID 568654
(4Z)-3-Phenylisoxazole-4,5-dione 4-oxime
CID 234175
3-Phenyl-4-methyl-5-hydroxy-isoxazole
CID 576162
5(2H)-Isoxazolone, 2-methyl-3-phenyl-
CID 12355251
(Z)-methyl 3-amino-3-(4-fluorophenyl)acrylate
CID 22004895
isoxazol-5(2H)-one, 4-bromo-3-phenyl-
CID 3824510
Ethyl 3-amino-3-(p-tolyl)acrylate
CID 12021527
2-Tert-butyl-4-fluoro-3-phenyl-1,2-oxazol-5-one
CID 102584210
5(2H)-Isoxazolone, 4-chloro-3-phenyl-
CID 11435518
Methyl 3-amino-3-phenylacrylate
CID 12479377
beta-Aminocinnamic acid
CID 60104396
Ethyl 3-amino-3-(2-fluorophenyl)acrylate
CID 15407485

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one (CID 130170888) is 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one is Cc1ccc(-c2cc(=O)o[nH]2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one?
The InChIKey is DFQCHIZIIUCQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6-2-3-7(4-8(6)11)9-5-10(13)14-12-9/h2-5,12H,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one?
3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one has a molecular weight of 193.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 130170888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).