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

C14H12N4O2 — CID 124891483

IUPAC3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CC[C@@H](c3ncon3)C2)c1
InChIInChI=1S/C14H12N4O2/c15-7-10-2-1-3-11(6-10)14(19)18-5-4-12(8-18)13-16-9-20-17-13/h1-3,6,9,12H,4-5,8H2/t12-/m1/s1
InChIKeyCRXZWSBRVKESCS-GFCCVEGCSA-N
MW268.28 g/mol
LogP1.57
Rot. Bonds2

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

3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile (PubChem CID 124891483) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
PubChem CID124891483
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CC[C@@H](c3ncon3)C2)c1
InChIInChI=1S/C14H12N4O2/c15-7-10-2-1-3-11(6-10)14(19)18-5-4-12(8-18)13-16-9-20-17-13/h1-3,6,9,12H,4-5,8H2/t12-/m1/s1
InChIKeyCRXZWSBRVKESCS-GFCCVEGCSA-N
XLogP1.57
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylsulfanylphenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892543
(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759582
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 124891749
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
CID 63515337
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
2H-benzotriazol-5-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118789435
3-[2-(bromomethyl)morpholine-4-carbonyl]benzonitrile
CID 81211073
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019587
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
The IUPAC name of 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile (CID 124891483) is 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
The canonical SMILES for 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CC[C@@H](c3ncon3)C2)c1.
What is the InChIKey of 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
The InChIKey is CRXZWSBRVKESCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-7-10-2-1-3-11(6-10)14(19)18-5-4-12(8-18)13-16-9-20-17-13/h1-3,6,9,12H,4-5,8H2/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile?
3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile has a molecular weight of 268.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 124891483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).