5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one

C9H5ClFNO3 — CID 54265198

IUPAC5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2c(F)cccc2Cl)o1
InChIInChI=1S/C9H5ClFNO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,13H,(H,12,14)
InChIKeyRGGLXMWYNIBXHZ-UHFFFAOYSA-N
MW229.59 g/mol
LogP2.13
Rot. Bonds1

About 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one

5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one (PubChem CID 54265198) has the molecular formula C9H5ClFNO3 and a molecular weight of 229.59 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
PubChem CID54265198
Molecular FormulaC9H5ClFNO3
Molecular Weight229.59 g/mol
Exact Mass228.99
IUPAC Name5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2c(F)cccc2Cl)o1
InChIInChI=1S/C9H5ClFNO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,13H,(H,12,14)
InChIKeyRGGLXMWYNIBXHZ-UHFFFAOYSA-N
XLogP2.13
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.59
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 54097647
5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 54125619
5-(4-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 54436162
5-(2-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 54513741
[1-(2-chloro-4-fluorophenyl)-2-cyanoethenyl] N-ethylcarbamate
CID 91355573
[1-Carbamoyloxy-1-(2-chloro-6-fluorophenyl)propyl] carbamate
CID 124086377
(4-Chloro-2-fluorophenyl)methyl carbamate
CID 130018424
(4-Chloro-3-fluorophenyl)methyl carbamate
CID 150534428
(3-Chloro-2-fluorophenyl)methyl carbamate
CID 153951753
[(1R)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropyl] carbamate
CID 175407122
[(1S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropyl] carbamate
CID 175407164
(2-Chloro-3-fluorophenyl)methyl carbamate
CID 176962170

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one (CID 54265198) is 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one is O=c1[nH]c(O)c(-c2c(F)cccc2Cl)o1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The InChIKey is RGGLXMWYNIBXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,13H,(H,12,14).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one has a molecular weight of 229.59 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one is sourced from PubChem (CID 54265198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).