2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one

C10H8FNO2 — CID 46844549

IUPAC2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
SMILESCC1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C10H8FNO2/c1-6-10(13)14-9(12-6)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyIUSGLUBHDYGJOS-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.52
Rot. Bonds1

About 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one

2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one (PubChem CID 46844549) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
PubChem CID46844549
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
SMILESCC1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C10H8FNO2/c1-6-10(13)14-9(12-6)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyIUSGLUBHDYGJOS-UHFFFAOYSA-N
XLogP1.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-4-methyl-4H-1,3-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

Oxazolone
CID 1712094
4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
CID 1712093
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
2-(4-Fluoro-phenyl)-4-(3-phenyl-allylidene)-4H-oxazol-5-one
CID 1921332
4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704134
(4Z)-4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one
CID 704135
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
2-Oxazolin-5-one, 4-(p-fluorobenzylidene)-2-phenyl-
CID 1550109
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one (CID 46844549) is 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one is CC1N=C(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
The InChIKey is IUSGLUBHDYGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6-10(13)14-9(12-6)7-2-4-8(11)5-3-7/h2-6H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one?
2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one has a molecular weight of 193.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 46844549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).