2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile

C10H6F2N4O — CID 114183778

IUPAC2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2ncon2)c(F)c1F
InChIInChI=1S/C10H6F2N4O/c11-9-6(3-13)1-2-7(10(9)12)14-4-8-15-5-17-16-8/h1-2,5,14H,4H2
InChIKeyRPHBFEMCEADIMP-UHFFFAOYSA-N
MW236.18 g/mol
LogP1.83
Rot. Bonds3

About 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile

2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile (PubChem CID 114183778) has the molecular formula C10H6F2N4O and a molecular weight of 236.18 g/mol. Its IUPAC name is 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
PubChem CID114183778
Molecular FormulaC10H6F2N4O
Molecular Weight236.18 g/mol
Exact Mass236.05
IUPAC Name2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2ncon2)c(F)c1F
InChIInChI=1S/C10H6F2N4O/c11-9-6(3-13)1-2-7(10(9)12)14-4-8-15-5-17-16-8/h1-2,5,14H,4H2
InChIKeyRPHBFEMCEADIMP-UHFFFAOYSA-N
XLogP1.83
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107933811
2,3-difluoro-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107933778
4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
CID 107933302
2-fluoro-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114183799
2,3-difluoro-4-(prop-2-ynylamino)benzonitrile
CID 107933287
6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398793
3-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393336
4-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114183794
4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile
CID 107933737
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184358
3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 106412732
4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
CID 107934150

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile?
The IUPAC name of 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile (CID 114183778) is 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile?
The canonical SMILES for 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile is N#Cc1ccc(NCc2ncon2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile?
The InChIKey is RPHBFEMCEADIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4O/c11-9-6(3-13)1-2-7(10(9)12)14-4-8-15-5-17-16-8/h1-2,5,14H,4H2.
What are the key properties of 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile?
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile has a molecular weight of 236.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 114183778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).