5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C18H21ClN6O — CID 56918634

IUPAC5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCC(Cc2noc(-c3cn(Cc4cccc(Cl)c4)nn3)n2)CC1
InChIInChI=1S/C18H21ClN6O/c1-24-7-5-13(6-8-24)10-17-20-18(26-22-17)16-12-25(23-21-16)11-14-3-2-4-15(19)9-14/h2-4,9,12-13H,5-8,10-11H2,1H3
InChIKeyNCOZSUXDFRUETH-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.91
Rot. Bonds5

About 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56918634) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56918634
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCC(Cc2noc(-c3cn(Cc4cccc(Cl)c4)nn3)n2)CC1
InChIInChI=1S/C18H21ClN6O/c1-24-7-5-13(6-8-24)10-17-20-18(26-22-17)16-12-25(23-21-16)11-14-3-2-4-15(19)9-14/h2-4,9,12-13H,5-8,10-11H2,1H3
InChIKeyNCOZSUXDFRUETH-UHFFFAOYSA-N
XLogP2.91
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 56907660
5-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56896490
5-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56709722
5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56894271
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
4-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42624006
(2R)-2-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidine
CID 99966709
3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 56708461
(3-chlorophenyl)-[(3R)-3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757649
5-[1-[(2-methylphenyl)methyl]triazol-4-yl]-3-propyl-1,2,4-oxadiazole
CID 56908875
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
(3-chlorophenyl)-[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908565

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56918634) is 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CN1CCC(Cc2noc(-c3cn(Cc4cccc(Cl)c4)nn3)n2)CC1.
What is the InChIKey of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is NCOZSUXDFRUETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-24-7-5-13(6-8-24)10-17-20-18(26-22-17)16-12-25(23-21-16)11-14-3-2-4-15(19)9-14/h2-4,9,12-13H,5-8,10-11H2,1H3.
What are the key properties of 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 372.86 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56918634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).