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

C25H21N5O2 — CID 42594224

IUPACN-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)on1)C(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C25H21N5O2/c1-29(16-21-14-24(32-27-21)19-9-3-2-4-10-19)25(31)23-17-30(28-26-23)15-20-12-7-11-18-8-5-6-13-22(18)20/h2-14,17H,15-16H2,1H3
InChIKeyIPIJZNWGCOYDMO-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.41
Rot. Bonds6

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

N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide (PubChem CID 42594224) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
PubChem CID42594224
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)on1)C(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C25H21N5O2/c1-29(16-21-14-24(32-27-21)19-9-3-2-4-10-19)25(31)23-17-30(28-26-23)15-20-12-7-11-18-8-5-6-13-22(18)20/h2-14,17H,15-16H2,1H3
InChIKeyIPIJZNWGCOYDMO-UHFFFAOYSA-N
XLogP4.41
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42213389
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42153985
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
N,N-dimethyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]triazole-4-carboxamide
CID 167882509
1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
CID 42212202
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56881683

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide (CID 42594224) is N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide is CN(Cc1cc(-c2ccccc2)on1)C(=O)c1cn(Cc2cccc3ccccc23)nn1.
What is the InChIKey of N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is IPIJZNWGCOYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-29(16-21-14-24(32-27-21)19-9-3-2-4-10-19)25(31)23-17-30(28-26-23)15-20-12-7-11-18-8-5-6-13-22(18)20/h2-14,17H,15-16H2,1H3.
What are the key properties of N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42594224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).