1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C15H16N6O2 — CID 127957586

IUPAC1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(C2CCCN(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C15H16N6O2/c16-13(22)14-17-9-21(19-14)10-4-3-7-20(8-10)15-18-11-5-1-2-6-12(11)23-15/h1-2,5-6,9-10H,3-4,7-8H2,(H2,16,22)
InChIKeyBQHPIDCXBICZJM-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.36
Rot. Bonds3

About 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 127957586) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID127957586
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(C2CCCN(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C15H16N6O2/c16-13(22)14-17-9-21(19-14)10-4-3-7-20(8-10)15-18-11-5-1-2-6-12(11)23-15/h1-2,5-6,9-10H,3-4,7-8H2,(H2,16,22)
InChIKeyBQHPIDCXBICZJM-UHFFFAOYSA-N
XLogP1.36
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-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

(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900944
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-3-carboxylic acid;dihydrochloride
CID 154895890
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 26324983
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
[(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 95502907
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 25457999
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 25457994
1-[1-(6-anilinopyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 167963785
(2R)-N-[(3S)-1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-6-oxopiperidine-2-carboxamide
CID 146147907
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 127957586) is 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(C2CCCN(c3nc4ccccc4o3)C2)n1.
What is the InChIKey of 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is BQHPIDCXBICZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c16-13(22)14-17-9-21(19-14)10-4-3-7-20(8-10)15-18-11-5-1-2-6-12(11)23-15/h1-2,5-6,9-10H,3-4,7-8H2,(H2,16,22).
What are the key properties of 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 127957586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).