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

C12H12FNO2 — CID 139252961

IUPAC2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C12H12FNO2/c1-7(2)10-12(15)16-11(14-10)8-5-3-4-6-9(8)13/h3-7,10H,1-2H3
InChIKeyASHLFQFKWDICRB-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.15
Rot. Bonds2

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

2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 139252961) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID139252961
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C12H12FNO2/c1-7(2)10-12(15)16-11(14-10)8-5-3-4-6-9(8)13/h3-7,10H,1-2H3
InChIKeyASHLFQFKWDICRB-UHFFFAOYSA-N
XLogP2.15
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenyl)-4-propan-2-yl-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

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
4-(Ethoxymethylene)-2-(4-fluorophenyl)-1,3-oxazolin-5-one
CID 6531488
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
4-[1-(Dimethylamino)ethylidene]-2-phenyl-1,3-oxazol-5-one
CID 3531411

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 139252961) is 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(c2ccccc2F)OC1=O.
What is the InChIKey of 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is ASHLFQFKWDICRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-7(2)10-12(15)16-11(14-10)8-5-3-4-6-9(8)13/h3-7,10H,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 221.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 139252961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).