[4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone

C22H19ClN6O2 — CID 52915118

IUPAC[4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-17-8-6-15(7-9-17)21-24-20(26-31-21)19-14-29(27-25-19)18-10-12-28(13-11-18)22(30)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2
InChIKeySUKMCIGCOAGMQH-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.13
Rot. Bonds4

About [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone

[4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 52915118) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone
PubChem CID52915118
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name[4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-17-8-6-15(7-9-17)21-24-20(26-31-21)19-14-29(27-25-19)18-10-12-28(13-11-18)22(30)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2
InChIKeySUKMCIGCOAGMQH-UHFFFAOYSA-N
XLogP4.13
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone (CID 52915118) is [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1.
What is the InChIKey of [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is SUKMCIGCOAGMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c23-17-8-6-15(7-9-17)21-24-20(26-31-21)19-14-29(27-25-19)18-10-12-28(13-11-18)22(30)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2.
What are the key properties of [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone?
[4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 434.89 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]triazol-1-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 52915118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).