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

C14H12N2O4 — CID 31020779

IUPAC3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H12N2O4/c1-8-4-5-19-13(8)14(18)15-9-2-3-11-10(6-9)16-12(17)7-20-11/h2-6H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyBKUQCALVUIICCQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.17
Rot. Bonds2

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

3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide (PubChem CID 31020779) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
PubChem CID31020779
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H12N2O4/c1-8-4-5-19-13(8)14(18)15-9-2-3-11-10(6-9)16-12(17)7-20-11/h2-6H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyBKUQCALVUIICCQ-UHFFFAOYSA-N
XLogP2.17
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 32974831
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide (CID 31020779) is 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The InChIKey is BKUQCALVUIICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-4-5-19-13(8)14(18)15-9-2-3-11-10(6-9)16-12(17)7-20-11/h2-6H,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide?
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 31020779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).