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

C9H6FNO2 — CID 21119784

IUPAC4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)co1
InChIInChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKeyFWUGFRIFQMEGKX-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.77
Rot. Bonds1

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

4-(4-fluorophenyl)-3H-1,3-oxazol-2-one (PubChem CID 21119784) has the molecular formula C9H6FNO2 and a molecular weight of 179.15 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
PubChem CID21119784
Molecular FormulaC9H6FNO2
Molecular Weight179.15 g/mol
Exact Mass179.04
IUPAC Name4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)co1
InChIInChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKeyFWUGFRIFQMEGKX-UHFFFAOYSA-N
XLogP1.77
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Oxazolin-2-one, 4-phenyl-
CID 118669
4-(4-Chlorophenyl)-2,3-dihydro-1,3-oxazol-2-one
CID 11424125
Fluzoperine
CID 219072
2(3H)-Oxazolone, 4-(1,1'-biphenyl)-4-yl-
CID 214835
4-Phenyl-1,3-oxazole-2-thiol
CID 18402815
4-(4-Bromophenyl)-2,3-dihydro-1,3-oxazol-2-one
CID 91621614
4-[3,5-bis(trifluoromethyl)phenyl]-3H-1,3-oxazol-2-one
CID 125484198
N-[(Z)-1-(4-fluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide
CID 15371794
N-[(Z)-1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethenyl]acetamide
CID 15371795
methyl N-(1-phenylethenyl)carbamate
CID 11636910
Tert-butyl (1-phenylvinyl)carbamate
CID 24881759
Benzyloxazolone
CID 53761601

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one (CID 21119784) is 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one is O=c1[nH]c(-c2ccc(F)cc2)co1.
What is the InChIKey of 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one?
The InChIKey is FWUGFRIFQMEGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12).
What are the key properties of 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one?
4-(4-fluorophenyl)-3H-1,3-oxazol-2-one has a molecular weight of 179.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 21119784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).