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

C15H16N4O — CID 86776903

IUPAC4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
SMILESCc1noc(C2CCCN(c3ccc(C#N)cc3)C2)n1
InChIInChI=1S/C15H16N4O/c1-11-17-15(20-18-11)13-3-2-8-19(10-13)14-6-4-12(9-16)5-7-14/h4-7,13H,2-3,8,10H2,1H3
InChIKeyVMIZKRDNWQHYLO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.63
Rot. Bonds2

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

4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile (PubChem CID 86776903) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
PubChem CID86776903
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
SMILESCc1noc(C2CCCN(c3ccc(C#N)cc3)C2)n1
InChIInChI=1S/C15H16N4O/c1-11-17-15(20-18-11)13-3-2-8-19(10-13)14-6-4-12(9-16)5-7-14/h4-7,13H,2-3,8,10H2,1H3
InChIKeyVMIZKRDNWQHYLO-UHFFFAOYSA-N
XLogP2.63
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-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

Related Compounds

4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122137130
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 86782075
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95307695
4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128979743
4-(3-fluoropiperidin-1-yl)benzonitrile
CID 105456209
4-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133280853
5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 154836223
3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97253149
4-(2-ethyl-1,4-oxazepan-4-yl)benzonitrile
CID 114217515
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile (CID 86776903) is 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile is Cc1noc(C2CCCN(c3ccc(C#N)cc3)C2)n1.
What is the InChIKey of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile?
The InChIKey is VMIZKRDNWQHYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-17-15(20-18-11)13-3-2-8-19(10-13)14-6-4-12(9-16)5-7-14/h4-7,13H,2-3,8,10H2,1H3.
What are the key properties of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile?
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 86776903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).