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

C13H11N3O4 — CID 35528644

IUPAC5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)no1
InChIInChI=1S/C13H11N3O4/c1-7-4-10(16-20-7)13(18)14-8-2-3-11-9(5-8)15-12(17)6-19-11/h2-5H,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyNXFUYLQWDGWXMW-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.57
Rot. Bonds2

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

5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (PubChem CID 35528644) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
PubChem CID35528644
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)no1
InChIInChI=1S/C13H11N3O4/c1-7-4-10(16-20-7)13(18)14-8-2-3-11-9(5-8)15-12(17)6-19-11/h2-5H,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyNXFUYLQWDGWXMW-UHFFFAOYSA-N
XLogP1.57
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 33125130
5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 24666517
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 35529721
1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 166201309
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 107518741
2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 66376900

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (CID 35528644) is 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)no1.
What is the InChIKey of 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is NXFUYLQWDGWXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-7-4-10(16-20-7)13(18)14-8-2-3-11-9(5-8)15-12(17)6-19-11/h2-5H,6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 35528644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).