2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile

C19H14N6O — CID 155211397

IUPAC2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile
SMILESN#Cc1cccc(-c2cc(-c3nc(C4CCCN4C#N)no3)ccn2)c1
InChIInChI=1S/C19H14N6O/c20-11-13-3-1-4-14(9-13)16-10-15(6-7-22-16)19-23-18(24-26-19)17-5-2-8-25(17)12-21/h1,3-4,6-7,9-10,17H,2,5,8H2
InChIKeyDXJFNBXEXCOKRM-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.29
Rot. Bonds3

About 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile

2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile (PubChem CID 155211397) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile
PubChem CID155211397
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile
SMILESN#Cc1cccc(-c2cc(-c3nc(C4CCCN4C#N)no3)ccn2)c1
InChIInChI=1S/C19H14N6O/c20-11-13-3-1-4-14(9-13)16-10-15(6-7-22-16)19-23-18(24-26-19)17-5-2-8-25(17)12-21/h1,3-4,6-7,9-10,17H,2,5,8H2
InChIKeyDXJFNBXEXCOKRM-UHFFFAOYSA-N
XLogP3.29
TPSA102.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(2S)-azepan-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 97345748
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677191
3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011039
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011040
2-[4-(3-cyanophenyl)-1H-benzimidazol-2-yl]piperidine-1-carbonitrile
CID 175744657
3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 97011603
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
CID 141188442
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527338
6-[2-(1-cyanopyrrolidin-2-yl)-1,3-benzoxazol-6-yl]pyridine-2-carbonitrile
CID 130454392
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 113233905

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile?
The IUPAC name of 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile (CID 155211397) is 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile.
What is the SMILES notation for 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile?
The canonical SMILES for 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile is N#Cc1cccc(-c2cc(-c3nc(C4CCCN4C#N)no3)ccn2)c1.
What is the InChIKey of 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile?
The InChIKey is DXJFNBXEXCOKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c20-11-13-3-1-4-14(9-13)16-10-15(6-7-22-16)19-23-18(24-26-19)17-5-2-8-25(17)12-21/h1,3-4,6-7,9-10,17H,2,5,8H2.
What are the key properties of 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile?
2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-cyanophenyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonitrile is sourced from PubChem (CID 155211397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).