2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile

C15H10N4O2 — CID 51102940

IUPAC2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C15H10N4O2/c16-9-11-5-1-2-6-12(11)10-19-14(18-21-15(19)20)13-7-3-4-8-17-13/h1-8H,10H2
InChIKeySWAMXIQVZKGCGZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.82
Rot. Bonds3

About 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile

2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile (PubChem CID 51102940) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile
PubChem CID51102940
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(-c2ccccn2)noc1=O
InChIInChI=1S/C15H10N4O2/c16-9-11-5-1-2-6-12(11)10-19-14(18-21-15(19)20)13-7-3-4-8-17-13/h1-8H,10H2
InChIKeySWAMXIQVZKGCGZ-UHFFFAOYSA-N
XLogP1.82
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluorophenyl)-3-(3-pyridinyl)-1,2,4-oxadiazol-5(4H)-one
CID 2727255
2-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 23195662
1,2,4-Oxadiazol-5(4H)-one, 3-(2,6-difluorophenyl)-4-(3-pyridyl)-
CID 615858
4-[(4,4-Difluorocyclohexyl)methyl]-3-[(2-methylpyridin-3-yl)methyl]-1,2,4-oxadiazol-5-one
CID 135371017
1,2,4-Oxadiazol-5(4H)-one, 4-(2-methylphenyl)-3-(3-pyridyl)-
CID 569085
1,2,4-Oxadiazol-5(4H)-one, 4-phenyl-3-(3-pyridyl)-
CID 607090
4-Pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
CID 2727267
4-(Naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 51132894
4-(Cyclopropylmethyl)-3-(4-trifluoromethylpyridin-2-yl)-1,2,4-oxadiazol-5-one
CID 59570289
4-Cyanomethyl-3-(4-trifluoromethylpyridin-2-yl)-1,2,4-oxadiazol-5-one
CID 59570304
4-Methyl-3-(4-trifluoromethylpyridin-2-yl)-1,2,4-oxadiazol-5-one
CID 59570342
4-Benzyl-3-(4-trifluoromethylpyridin-2-yl)-1,2,4-oxadiazol-5-one
CID 59570364

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile?
The IUPAC name of 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile (CID 51102940) is 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile is N#Cc1ccccc1Cn1c(-c2ccccn2)noc1=O.
What is the InChIKey of 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile?
The InChIKey is SWAMXIQVZKGCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c16-9-11-5-1-2-6-12(11)10-19-14(18-21-15(19)20)13-7-3-4-8-17-13/h1-8H,10H2.
What are the key properties of 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile?
2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile has a molecular weight of 278.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile is sourced from PubChem (CID 51102940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).