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

C18H22N4O — CID 56703730

IUPAC4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCCCN1CCC(Cc2noc(-c3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C18H22N4O/c1-2-9-22-10-7-14(8-11-22)12-17-20-18(23-21-17)16-5-3-15(13-19)4-6-16/h3-6,14H,2,7-12H2,1H3
InChIKeyOBZNUGXKGCAWBB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds5

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

4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 56703730) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID56703730
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCCCN1CCC(Cc2noc(-c3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C18H22N4O/c1-2-9-22-10-7-14(8-11-22)12-17-20-18(23-21-17)16-5-3-15(13-19)4-6-16/h3-6,14H,2,7-12H2,1H3
InChIKeyOBZNUGXKGCAWBB-UHFFFAOYSA-N
XLogP3.27
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-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-[3-[2-[1-(1-methylcyclopentyl)piperidin-4-yl]ethyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 70967303
5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 72870819
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526858
5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56708391
5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56894271
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527061
5-[(2S)-piperidin-2-yl]-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56722200
4-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 53127128
4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 59657770
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704099
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676807

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 56703730) is 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile is CCCN1CCC(Cc2noc(-c3ccc(C#N)cc3)n2)CC1.
What is the InChIKey of 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is OBZNUGXKGCAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-9-22-10-7-14(8-11-22)12-17-20-18(23-21-17)16-5-3-15(13-19)4-6-16/h3-6,14H,2,7-12H2,1H3.
What are the key properties of 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 310.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 56703730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).