4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide

C15H17N5O3 — CID 131947877

IUPAC4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nncn1C
InChIInChI=1S/C15H17N5O3/c1-9(14-18-16-8-19(14)2)17-15(22)10-4-5-12-11(6-10)20(3)13(21)7-23-12/h4-6,8-9H,7H2,1-3H3,(H,17,22)
InChIKeyDJDKYWLSDKVYIY-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.66
Rot. Bonds3

About 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide

4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 131947877) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID131947877
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nncn1C
InChIInChI=1S/C15H17N5O3/c1-9(14-18-16-8-19(14)2)17-15(22)10-4-5-12-11(6-10)20(3)13(21)7-23-12/h4-6,8-9H,7H2,1-3H3,(H,17,22)
InChIKeyDJDKYWLSDKVYIY-UHFFFAOYSA-N
XLogP0.66
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
4-N-tert-butyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 51093781
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
4-(bromomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 102851127
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
4-methyl-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide
CID 110763923
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 103543064

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide (CID 131947877) is 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide is CC(NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nncn1C.
What is the InChIKey of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is DJDKYWLSDKVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9(14-18-16-8-19(14)2)17-15(22)10-4-5-12-11(6-10)20(3)13(21)7-23-12/h4-6,8-9H,7H2,1-3H3,(H,17,22).
What are the key properties of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 131947877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).