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

C25H19N5O2 — CID 71547193

IUPAC5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3cc(-c4ccccc4)no3)c2)nnn1-c1ccccc1
InChIInChI=1S/C25H19N5O2/c1-17-24(27-29-30(17)21-13-6-3-7-14-21)25(31)26-20-12-8-11-19(15-20)23-16-22(28-32-23)18-9-4-2-5-10-18/h2-16H,1H3,(H,26,31)
InChIKeyFTFHGJVGRSUTQR-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.15
Rot. Bonds5

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

5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide (PubChem CID 71547193) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide
PubChem CID71547193
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3cc(-c4ccccc4)no3)c2)nnn1-c1ccccc1
InChIInChI=1S/C25H19N5O2/c1-17-24(27-29-30(17)21-13-6-3-7-14-21)25(31)26-20-12-8-11-19(15-20)23-16-22(28-32-23)18-9-4-2-5-10-18/h2-16H,1H3,(H,26,31)
InChIKeyFTFHGJVGRSUTQR-UHFFFAOYSA-N
XLogP5.15
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
N-(3-chlorophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 16648940
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 155946723
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
N-(5-acetamido-2-fluorophenyl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86901240
1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
CID 55989961
N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651449

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide (CID 71547193) is 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(-c3cc(-c4ccccc4)no3)c2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide?
The InChIKey is FTFHGJVGRSUTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-17-24(27-29-30(17)21-13-6-3-7-14-21)25(31)26-20-12-8-11-19(15-20)23-16-22(28-32-23)18-9-4-2-5-10-18/h2-16H,1H3,(H,26,31).
What are the key properties of 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide?
5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 71547193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).