N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

C21H26N6O2 — CID 42153985

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C21H26N6O2/c1-25(15-18-14-19(23-29-18)17-8-4-2-5-9-17)21(28)20-16-27(24-22-20)13-12-26-10-6-3-7-11-26/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3
InChIKeyLXTWKJGQAJTECC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.69
Rot. Bonds7

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 42153985) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
PubChem CID42153985
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C21H26N6O2/c1-25(15-18-14-19(23-29-18)17-8-4-2-5-9-17)21(28)20-16-27(24-22-20)13-12-26-10-6-3-7-11-26/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3
InChIKeyLXTWKJGQAJTECC-UHFFFAOYSA-N
XLogP2.69
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
CID 42212202
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 45237275
N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 42594224
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42513270
1-(2-amino-2-oxoethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 131902477
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide
CID 46989874
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
methyl (2S)-3-phenyl-2-[[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]amino]propanoate
CID 25366336

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (CID 42153985) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CCN2CCCCC2)nn1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is LXTWKJGQAJTECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25(15-18-14-19(23-29-18)17-8-4-2-5-9-17)21(28)20-16-27(24-22-20)13-12-26-10-6-3-7-11-26/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 42153985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).