N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C18H23N7O2 — CID 119060735

IUPACN-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc(C2CCCCN2C(=O)Nc2cccc3nn(C)nc23)n1
InChIInChI=1S/C18H23N7O2/c1-11(2)16-20-17(27-23-16)14-9-4-5-10-25(14)18(26)19-12-7-6-8-13-15(12)22-24(3)21-13/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,19,26)
InChIKeyUZOXLFYOUVIAKD-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.23
Rot. Bonds3

About N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 119060735) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID119060735
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1noc(C2CCCCN2C(=O)Nc2cccc3nn(C)nc23)n1
InChIInChI=1S/C18H23N7O2/c1-11(2)16-20-17(27-23-16)14-9-4-5-10-25(14)18(26)19-12-7-6-8-13-15(12)22-24(3)21-13/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,19,26)
InChIKeyUZOXLFYOUVIAKD-UHFFFAOYSA-N
XLogP3.23
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide 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

(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 118785053
ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 70747823
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 7295387
4-piperidin-1-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 97197902
1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70706984
[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97138705
N-(2,3-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4261812
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 7288844
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 4283064
2-[4-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97145776

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 119060735) is N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(C)c1noc(C2CCCCN2C(=O)Nc2cccc3nn(C)nc23)n1.
What is the InChIKey of N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is UZOXLFYOUVIAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11(2)16-20-17(27-23-16)14-9-4-5-10-25(14)18(26)19-12-7-6-8-13-15(12)22-24(3)21-13/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,19,26).
What are the key properties of N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 119060735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).