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

C13H14FNO2 — CID 139259603

IUPAC2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C13H14FNO2/c1-8(2)7-11-13(16)17-12(15-11)9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyVFAFEPIOWCDDAD-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.54
Rot. Bonds3

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

2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one (PubChem CID 139259603) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
PubChem CID139259603
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C13H14FNO2/c1-8(2)7-11-13(16)17-12(15-11)9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyVFAFEPIOWCDDAD-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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
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
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
CID 11218129
2-Phenyl-4,5-dihydro-oxazole-4-carboxylic acid
CID 22220877

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one (CID 139259603) is 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one is CC(C)CC1N=C(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The InChIKey is VFAFEPIOWCDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8(2)7-11-13(16)17-12(15-11)9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one has a molecular weight of 235.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 139259603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).