ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

C16H14N4O — CID 91230916

IUPACethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESCC.N#Cc1cccc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H8N4O.C2H6/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12;1-2/h1-8H;1-2H3
InChIKeyVXBBSMWOFIBTSY-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.70
Rot. Bonds2

About ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (PubChem CID 91230916) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.

Molecular Properties

Compound Nameethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
PubChem CID91230916
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Nameethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
SMILESCC.N#Cc1cccc(-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C14H8N4O.C2H6/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12;1-2/h1-8H;1-2H3
InChIKeyVXBBSMWOFIBTSY-UHFFFAOYSA-N
XLogP3.70
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The IUPAC name of ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile (CID 91230916) is ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile.
What is the SMILES notation for ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The canonical SMILES for ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is CC.N#Cc1cccc(-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
The InChIKey is VXBBSMWOFIBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O.C2H6/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12;1-2/h1-8H;1-2H3.
What are the key properties of ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile?
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile has a molecular weight of 278.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile is sourced from PubChem (CID 91230916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).