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

C21H19N3O4 — CID 35672809

IUPAC5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)no2)cc1C
InChIInChI=1S/C21H19N3O4/c1-12-4-5-14(8-13(12)2)19-10-16(23-28-19)21(26)22-15-6-7-18-17(9-15)24(3)20(25)11-27-18/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyYMUOLSLWPJRGMN-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.57
Rot. Bonds3

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

5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (PubChem CID 35672809) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
PubChem CID35672809
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)no2)cc1C
InChIInChI=1S/C21H19N3O4/c1-12-4-5-14(8-13(12)2)19-10-16(23-28-19)21(26)22-15-6-7-18-17(9-15)24(3)20(25)11-27-18/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyYMUOLSLWPJRGMN-UHFFFAOYSA-N
XLogP3.57
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-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

N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011912
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35673207
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
1-(2-chlorophenyl)-5-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)triazole-4-carboxamide
CID 99818166
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770464
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 35672851
5-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 17011926
N-(3,4-dimethylphenyl)-2-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanylacetamide
CID 7747573

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (CID 35672809) is 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)no2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YMUOLSLWPJRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-12-4-5-14(8-13(12)2)19-10-16(23-28-19)21(26)22-15-6-7-18-17(9-15)24(3)20(25)11-27-18/h4-10H,11H2,1-3H3,(H,22,26).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 35672809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).