4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one

C13H12FNO2 — CID 101412232

IUPAC4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC=C(F)CC1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H12FNO2/c1-9(14)8-13(2)12(16)17-11(15-13)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyOUFFSTSKPVQTPR-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.62
Rot. Bonds3

About 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one

4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one (PubChem CID 101412232) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
PubChem CID101412232
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
SMILESC=C(F)CC1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H12FNO2/c1-9(14)8-13(2)12(16)17-11(15-13)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyOUFFSTSKPVQTPR-UHFFFAOYSA-N
XLogP2.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925
(4R)-4-(2-fluoroprop-2-enyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 135015518
4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
CID 100943366
(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one
CID 165350179
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
O-[(4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl] ethanethioate
CID 45123250
2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
CID 102179165
4-[2-(2-hydroxyphenyl)ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one
CID 54562596
4-benzyl-2-phenyl-4-(2-trimethylsilylethynyl)-1,3-oxazol-5-one
CID 102232575
[2-[(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)methyl]-3-pyridinyl] benzenesulfonate
CID 19349879

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one (CID 101412232) is 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one is C=C(F)CC1(C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
The InChIKey is OUFFSTSKPVQTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-9(14)8-13(2)12(16)17-11(15-13)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one?
4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one has a molecular weight of 233.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 101412232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).