1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide

C19H16ClN5O3 — CID 99818166

IUPAC1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)nnn1-c1ccccc1Cl
InChIInChI=1S/C19H16ClN5O3/c1-11-18(22-23-25(11)14-6-4-3-5-13(14)20)19(27)21-12-7-8-16-15(9-12)24(2)17(26)10-28-16/h3-9H,10H2,1-2H3,(H,21,27)
InChIKeyRQPISSREMYFOBF-UHFFFAOYSA-N
MW397.82 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide (PubChem CID 99818166) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide
PubChem CID99818166
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)nnn1-c1ccccc1Cl
InChIInChI=1S/C19H16ClN5O3/c1-11-18(22-23-25(11)14-6-4-3-5-13(14)20)19(27)21-12-7-8-16-15(9-12)24(2)17(26)10-28-16/h3-9H,10H2,1-2H3,(H,21,27)
InChIKeyRQPISSREMYFOBF-UHFFFAOYSA-N
XLogP2.84
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
1-(2-chlorophenyl)-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
CID 86888977
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35672809
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770464
N-(3-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516202
1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 95572722
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
CID 167953016
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide (CID 99818166) is 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide?
The InChIKey is RQPISSREMYFOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-11-18(22-23-25(11)14-6-4-3-5-13(14)20)19(27)21-12-7-8-16-15(9-12)24(2)17(26)10-28-16/h3-9H,10H2,1-2H3,(H,21,27).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide has a molecular weight of 397.82 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide is sourced from PubChem (CID 99818166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).