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

C13H14FNO2 — CID 11736477

IUPAC4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCC(C)(F)CC1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H14FNO2/c1-13(2,14)8-10-12(16)17-11(15-10)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyBASVLKYYUZVMKG-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.50
Rot. Bonds3

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

4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 11736477) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID11736477
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESCC(C)(F)CC1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C13H14FNO2/c1-13(2,14)8-10-12(16)17-11(15-10)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyBASVLKYYUZVMKG-UHFFFAOYSA-N
XLogP2.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
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
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 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one (CID 11736477) is 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one is CC(C)(F)CC1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is BASVLKYYUZVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-13(2,14)8-10-12(16)17-11(15-10)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one?
4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 235.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-methylpropyl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 11736477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).