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

C9H5ClFNO2 — CID 130170904

IUPAC3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc(F)c(Cl)c2)[nH]o1
InChIInChI=1S/C9H5ClFNO2/c10-6-3-5(1-2-7(6)11)8-4-9(13)14-12-8/h1-4,12H
InChIKeyIIBYJYOSLMUFAU-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.43
Rot. Bonds1

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

3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one (PubChem CID 130170904) has the molecular formula C9H5ClFNO2 and a molecular weight of 213.59 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one
PubChem CID130170904
Molecular FormulaC9H5ClFNO2
Molecular Weight213.59 g/mol
Exact Mass213.00
IUPAC Name3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccc(F)c(Cl)c2)[nH]o1
InChIInChI=1S/C9H5ClFNO2/c10-6-3-5(1-2-7(6)11)8-4-9(13)14-12-8/h1-4,12H
InChIKeyIIBYJYOSLMUFAU-UHFFFAOYSA-N
XLogP2.43
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenylmaleisoimide
CID 568654
3-(4-Chlorophenyl)-1,2-oxazol-5-ol
CID 5056057
5(2H)-Isoxazolone, 4-chloro-3-phenyl-
CID 11435518
3-(3-Chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022113
3-(4-Fluorophenyl)-1,2-oxazol-5-ol
CID 75359316
3-[(4-chlorophenyl)-difluoromethyl]-2H-1,2-oxazol-5-one
CID 141740920
Ethyl 3-amino-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 177904377
ethyl (Z)-3-amino-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 178058807
3-(2-Fluorophenyl)-1,2-oxazol-5-ol
CID 75359324
3-(3-Fluorophenyl)-1,2-oxazol-5-ol
CID 75359327
3-(2,4-Difluorophenyl)-1,2-oxazol-5-ol
CID 75359343
3-(3,5-Difluorophenyl)-1,2-oxazol-5-ol
CID 75359344

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one (CID 130170904) is 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one is O=c1cc(-c2ccc(F)c(Cl)c2)[nH]o1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one?
The InChIKey is IIBYJYOSLMUFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO2/c10-6-3-5(1-2-7(6)11)8-4-9(13)14-12-8/h1-4,12H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one?
3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one has a molecular weight of 213.59 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 130170904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).