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

C17H13N3O4 — CID 26702181

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc2o1
InChIInChI=1S/C17H13N3O4/c1-9-18-13-7-11(3-5-14(13)24-9)19-17(22)10-2-4-12-15(6-10)23-8-16(21)20-12/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyLBMXWCTUAHRRQM-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.72
Rot. Bonds2

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

N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 26702181) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID26702181
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc2o1
InChIInChI=1S/C17H13N3O4/c1-9-18-13-7-11(3-5-14(13)24-9)19-17(22)10-2-4-12-15(6-10)23-8-16(21)20-12/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyLBMXWCTUAHRRQM-UHFFFAOYSA-N
XLogP2.72
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR)-N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 9490395
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
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N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
N-[1-(2-methylpropyl)indol-5-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 47080901
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
CID 59802926
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 26702181) is N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is Cc1nc2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is LBMXWCTUAHRRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-9-18-13-7-11(3-5-14(13)24-9)19-17(22)10-2-4-12-15(6-10)23-8-16(21)20-12/h2-7H,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 26702181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).