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

C21H25N5O2 — CID 42212202

IUPAC1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C21H25N5O2/c1-25(14-18-12-19(23-28-18)17-10-6-3-7-11-17)21(27)20-15-26(24-22-20)13-16-8-4-2-5-9-16/h3,6-7,10-12,15-16H,2,4-5,8-9,13-14H2,1H3
InChIKeyUAJUWUQQCGJNEN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.79
Rot. Bonds6

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

1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 42212202) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
PubChem CID42212202
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C21H25N5O2/c1-25(14-18-12-19(23-28-18)17-10-6-3-7-11-17)21(27)20-15-26(24-22-20)13-16-8-4-2-5-9-16/h3,6-7,10-12,15-16H,2,4-5,8-9,13-14H2,1H3
InChIKeyUAJUWUQQCGJNEN-UHFFFAOYSA-N
XLogP3.79
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42153985
N-(1,3-benzothiazol-2-ylmethyl)-1-(cyclohexylmethyl)-N-methyltriazole-4-carboxamide
CID 56914084
1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
CID 95728030
1-(cyclohexylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyltriazole-4-carboxamide
CID 56716937
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide
CID 25449527
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 95875059
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
(2S)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
CID 95895559
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]-1,4-dioxane-2-carboxamide
CID 70777169

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide (CID 42212202) is 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is UAJUWUQQCGJNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25(14-18-12-19(23-28-18)17-10-6-3-7-11-17)21(27)20-15-26(24-22-20)13-16-8-4-2-5-9-16/h3,6-7,10-12,15-16H,2,4-5,8-9,13-14H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42212202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).