5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile

C10H4F2N2O — CID 56671820

IUPAC5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1-c1cccc(F)c1F
InChIInChI=1S/C10H4F2N2O/c11-8-3-1-2-7(9(8)12)10-6(4-13)5-14-15-10/h1-3,5H
InChIKeyMMVDATSNUGTRTI-UHFFFAOYSA-N
MW206.15 g/mol
LogP2.49
Rot. Bonds1

About 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile

5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 56671820) has the molecular formula C10H4F2N2O and a molecular weight of 206.15 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile
PubChem CID56671820
Molecular FormulaC10H4F2N2O
Molecular Weight206.15 g/mol
Exact Mass206.03
IUPAC Name5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1-c1cccc(F)c1F
InChIInChI=1S/C10H4F2N2O/c11-8-3-1-2-7(9(8)12)10-6(4-13)5-14-15-10/h1-3,5H
InChIKeyMMVDATSNUGTRTI-UHFFFAOYSA-N
XLogP2.49
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile (CID 56671820) is 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile is N#Cc1cnoc1-c1cccc(F)c1F.
What is the InChIKey of 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is MMVDATSNUGTRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2O/c11-8-3-1-2-7(9(8)12)10-6(4-13)5-14-15-10/h1-3,5H.
What are the key properties of 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile?
5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 206.15 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 56671820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).