5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide

C18H15N5O2 — CID 9490444

IUPAC5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
SMILESCc1nc2cc(NC(=O)c3nn(-c4ccccc4)nc3C)ccc2o1
InChIInChI=1S/C18H15N5O2/c1-11-17(22-23(21-11)14-6-4-3-5-7-14)18(24)20-13-8-9-16-15(10-13)19-12(2)25-16/h3-10H,1-2H3,(H,20,24)
InChIKeyFNZHIOOHVCPOAW-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.28
Rot. Bonds3

About 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide

5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 9490444) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
PubChem CID9490444
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
SMILESCc1nc2cc(NC(=O)c3nn(-c4ccccc4)nc3C)ccc2o1
InChIInChI=1S/C18H15N5O2/c1-11-17(22-23(21-11)14-6-4-3-5-7-14)18(24)20-13-8-9-16-15(10-13)19-12(2)25-16/h3-10H,1-2H3,(H,20,24)
InChIKeyFNZHIOOHVCPOAW-UHFFFAOYSA-N
XLogP3.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51187330
3-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxophthalazine-1-carboxamide
CID 26683215
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 30035454
3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 35606382
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea
CID 126146253
1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 17398568
N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 46399207
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide (CID 9490444) is 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide is Cc1nc2cc(NC(=O)c3nn(-c4ccccc4)nc3C)ccc2o1.
What is the InChIKey of 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide?
The InChIKey is FNZHIOOHVCPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-17(22-23(21-11)14-6-4-3-5-7-14)18(24)20-13-8-9-16-15(10-13)19-12(2)25-16/h3-10H,1-2H3,(H,20,24).
What are the key properties of 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide?
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 9490444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).