N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide

C23H23N5O2 — CID 42585949

IUPACN-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nnn(Cc2nc(-c3ccccc3)oc2C)c1C
InChIInChI=1S/C23H23N5O2/c1-14-9-8-10-15(2)20(14)25-22(29)21-16(3)28(27-26-21)13-19-17(4)30-23(24-19)18-11-6-5-7-12-18/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyILGSAUDVXQRQGP-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.47
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide

N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 42585949) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID42585949
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nnn(Cc2nc(-c3ccccc3)oc2C)c1C
InChIInChI=1S/C23H23N5O2/c1-14-9-8-10-15(2)20(14)25-22(29)21-16(3)28(27-26-21)13-19-17(4)30-23(24-19)18-11-6-5-7-12-18/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyILGSAUDVXQRQGP-UHFFFAOYSA-N
XLogP4.47
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
CID 53089185
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53089035
1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 53089055
N-[(3-bromophenyl)methyl]-5-methyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089211
N-(2,4-dimethylphenyl)-5-methyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089027
1-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 16875971
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide
CID 46393343
N-(2,4-difluorophenyl)-5-methyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089120
N-(2,5-dimethoxyphenyl)-5-methyl-1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53089189
1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53089135
5-amino-N-(2,4-difluorophenyl)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]triazole-4-carboxamide
CID 53131770
5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide (CID 42585949) is N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1nnn(Cc2nc(-c3ccccc3)oc2C)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is ILGSAUDVXQRQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-9-8-10-15(2)20(14)25-22(29)21-16(3)28(27-26-21)13-19-17(4)30-23(24-19)18-11-6-5-7-12-18/h5-12H,13H2,1-4H3,(H,25,29).
What are the key properties of N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide?
N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42585949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).