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

C9H5F2NO3 — CID 54125619

IUPAC5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2c(F)cccc2F)o1
InChIInChI=1S/C9H5F2NO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,13H,(H,12,14)
InChIKeyNQTCGLKUWGTMLW-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.62
Rot. Bonds1

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

5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one (PubChem CID 54125619) has the molecular formula C9H5F2NO3 and a molecular weight of 213.14 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
PubChem CID54125619
Molecular FormulaC9H5F2NO3
Molecular Weight213.14 g/mol
Exact Mass213.02
IUPAC Name5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2c(F)cccc2F)o1
InChIInChI=1S/C9H5F2NO3/c10-4-2-1-3-5(11)6(4)7-8(13)12-9(14)15-7/h1-3,13H,(H,12,14)
InChIKeyNQTCGLKUWGTMLW-UHFFFAOYSA-N
XLogP1.62
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxazolin-2-one, 4-(p-fluorophenyl)-
CID 118670
5-Phenyloxazol-2-OL
CID 12306996
[Difluoro-(2,3,4-trifluorophenyl)methyl] carbamate
CID 68145732
4-tert-butylperoxy-5-(4-fluorophenyl)-3H-1,3-oxazol-2-one
CID 178251858
2(3H)-Oxazolone, 4-methyl-5-phenyl-
CID 12306999
6-m-Fluorophenyl-1,3-oxazine-2,4-dione
CID 13370936
[Fluoro-(2,3,4,5-tetrafluorophenyl)methyl] carbamate
CID 21553388
4-hydroxy-5-[2-(trifluoromethyl)phenyl]-3H-1,3-oxazol-2-one
CID 53668037
(4-Fluorophenyl)methyl carbamate
CID 53846688
5-(2-fluoronaphthalen-1-yl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 53918407
5-(3-fluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 54097647
5-(5-fluoro-2-methylphenyl)-4-hydroxy-3H-1,3-oxazol-2-one
CID 54232694

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The IUPAC name of 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one (CID 54125619) is 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one is O=c1[nH]c(O)c(-c2c(F)cccc2F)o1.
What is the InChIKey of 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
The InChIKey is NQTCGLKUWGTMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO3/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-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one?
5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one has a molecular weight of 213.14 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-4-hydroxy-3H-1,3-oxazol-2-one is sourced from PubChem (CID 54125619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).