3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one

C9H6F2N2O3 — CID 135371207

IUPAC3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccc(F)c2F)n1CO
InChIInChI=1S/C9H6F2N2O3/c10-6-3-1-2-5(7(6)11)8-12-16-9(15)13(8)4-14/h1-3,14H,4H2
InChIKeyHMUFGSBASRBVSC-UHFFFAOYSA-N
MW228.15 g/mol
LogP0.73
Rot. Bonds2

About 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one

3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one (PubChem CID 135371207) has the molecular formula C9H6F2N2O3 and a molecular weight of 228.15 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one
PubChem CID135371207
Molecular FormulaC9H6F2N2O3
Molecular Weight228.15 g/mol
Exact Mass228.03
IUPAC Name3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccc(F)c2F)n1CO
InChIInChI=1S/C9H6F2N2O3/c10-6-3-1-2-5(7(6)11)8-12-16-9(15)13(8)4-14/h1-3,14H,4H2
InChIKeyHMUFGSBASRBVSC-UHFFFAOYSA-N
XLogP0.73
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one (CID 135371207) is 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one is O=c1onc(-c2cccc(F)c2F)n1CO.
What is the InChIKey of 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one?
The InChIKey is HMUFGSBASRBVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O3/c10-6-3-1-2-5(7(6)11)8-12-16-9(15)13(8)4-14/h1-3,14H,4H2.
What are the key properties of 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one?
3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one has a molecular weight of 228.15 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-4-(hydroxymethyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135371207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).