2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide

C15H15N3O4 — CID 110683008

IUPAC2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)no1
InChIInChI=1S/C15H15N3O4/c1-8-6-13(17-22-8)16-14(19)10-4-5-11-12(7-10)21-9(2)15(20)18(11)3/h4-7,9H,1-3H3,(H,16,17,19)
InChIKeyYNJVMQZRGBEVMD-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.98
Rot. Bonds2

About 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide

2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide (PubChem CID 110683008) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide
PubChem CID110683008
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)no1
InChIInChI=1S/C15H15N3O4/c1-8-6-13(17-22-8)16-14(19)10-4-5-11-12(7-10)21-9(2)15(20)18(11)3/h4-7,9H,1-3H3,(H,16,17,19)
InChIKeyYNJVMQZRGBEVMD-UHFFFAOYSA-N
XLogP1.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682965
2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110770696
2,4-dimethyl-7-(2-methylidenepentanoyl)-1,4-benzoxazin-3-one
CID 3077707
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 2953834
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 1026089
4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 98120828
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 3144396

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide (CID 110683008) is 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)no1.
What is the InChIKey of 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide?
The InChIKey is YNJVMQZRGBEVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8-6-13(17-22-8)16-14(19)10-4-5-11-12(7-10)21-9(2)15(20)18(11)3/h4-7,9H,1-3H3,(H,16,17,19).
What are the key properties of 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide?
2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110683008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).