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

C12H12FNO2 — CID 139259605

IUPAC2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H12FNO2/c1-7(2)10-12(15)16-11(14-10)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3
InChIKeyPZLDYPWTQLBKQW-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.15
Rot. Bonds2

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

2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 139259605) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID139259605
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H12FNO2/c1-7(2)10-12(15)16-11(14-10)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3
InChIKeyPZLDYPWTQLBKQW-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

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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
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-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 139259605) is 2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is PZLDYPWTQLBKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-7(2)10-12(15)16-11(14-10)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-(4-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-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 139259605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).