5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C19H30N6O — CID 56894271

IUPAC5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cn(C4CCCCC4)nn3)n2)CC1
InChIInChI=1S/C19H30N6O/c1-2-10-24-11-8-15(9-12-24)13-18-20-19(26-22-18)17-14-25(23-21-17)16-6-4-3-5-7-16/h14-16H,2-13H2,1H3
InChIKeyLVWOADWNDIPQPJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.50
Rot. Bonds6

About 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56894271) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56894271
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cn(C4CCCCC4)nn3)n2)CC1
InChIInChI=1S/C19H30N6O/c1-2-10-24-11-8-15(9-12-24)13-18-20-19(26-22-18)17-14-25(23-21-17)16-6-4-3-5-7-16/h14-16H,2-13H2,1H3
InChIKeyLVWOADWNDIPQPJ-UHFFFAOYSA-N
XLogP3.50
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 72870819
4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 56703730
5-[(2S)-piperidin-2-yl]-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56722200
5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56708391
5-[1-(2-cyclohexylethyl)triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 56890949
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 79316324
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(3-methoxypropyl)-1,2,4-oxadiazole
CID 79317181
(2,5-dimethylphenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891905
5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56918634
1-[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 91891820
[(3R)-3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-phenylmethanone
CID 99757505
2-(3-methylphenyl)-1-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891951

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56894271) is 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCCN1CCC(Cc2noc(-c3cn(C4CCCCC4)nn3)n2)CC1.
What is the InChIKey of 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LVWOADWNDIPQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-2-10-24-11-8-15(9-12-24)13-18-20-19(26-22-18)17-14-25(23-21-17)16-6-4-3-5-7-16/h14-16H,2-13H2,1H3.
What are the key properties of 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 358.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56894271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).