3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile

C17H16N4O2 — CID 97011039

IUPAC3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1
InChIInChI=1S/C17H16N4O2/c18-10-11-3-1-4-13(9-11)17(22)21-8-2-5-14(21)15-19-16(23-20-15)12-6-7-12/h1,3-4,9,12,14H,2,5-8H2/t14-/m1/s1
InChIKeyWENGGKCANIHJSJ-CQSZACIVSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds3

About 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile

3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile (PubChem CID 97011039) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
PubChem CID97011039
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1
InChIInChI=1S/C17H16N4O2/c18-10-11-3-1-4-13(9-11)17(22)21-8-2-5-14(21)15-19-16(23-20-15)12-6-7-12/h1,3-4,9,12,14H,2,5-8H2/t14-/m1/s1
InChIKeyWENGGKCANIHJSJ-CQSZACIVSA-N
XLogP2.80
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011040
3-[2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 97011603
5-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 97013190
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 97013185
3-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 86951387
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 90564532
3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 97010556
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17498248
3-(2-formylpyrrolidine-1-carbonyl)benzonitrile
CID 146357937
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 97003510
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97003434

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
The IUPAC name of 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile (CID 97011039) is 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
The canonical SMILES for 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1.
What is the InChIKey of 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
The InChIKey is WENGGKCANIHJSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-10-11-3-1-4-13(9-11)17(22)21-8-2-5-14(21)15-19-16(23-20-15)12-6-7-12/h1,3-4,9,12,14H,2,5-8H2/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 97011039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).