2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide

C15H11N3O6 — CID 122149852

IUPAC2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide
SMILESCn1c(=O)oc2cc(NC(=O)c3cccc([N+](=O)[O-])c3O)ccc21
InChIInChI=1S/C15H11N3O6/c1-17-10-6-5-8(7-12(10)24-15(17)21)16-14(20)9-3-2-4-11(13(9)19)18(22)23/h2-7,19H,1H3,(H,16,20)
InChIKeyZOSWAEXYOQEBNW-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.00
Rot. Bonds3

About 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide

2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide (PubChem CID 122149852) has the molecular formula C15H11N3O6 and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide
PubChem CID122149852
Molecular FormulaC15H11N3O6
Molecular Weight329.27 g/mol
Exact Mass329.06
IUPAC Name2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide
SMILESCn1c(=O)oc2cc(NC(=O)c3cccc([N+](=O)[O-])c3O)ccc21
InChIInChI=1S/C15H11N3O6/c1-17-10-6-5-8(7-12(10)24-15(17)21)16-14(20)9-3-2-4-11(13(9)19)18(22)23/h2-7,19H,1H3,(H,16,20)
InChIKeyZOSWAEXYOQEBNW-UHFFFAOYSA-N
XLogP2.00
TPSA127.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 71879473
N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107613195
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
CID 103746259
2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
CID 102560035
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-nitrobenzamide
CID 2973476
3-methyl-6-(4-nitroanilino)-1,3-benzoxazol-2-one
CID 133453796
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide (CID 122149852) is 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide is Cn1c(=O)oc2cc(NC(=O)c3cccc([N+](=O)[O-])c3O)ccc21.
What is the InChIKey of 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide?
The InChIKey is ZOSWAEXYOQEBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O6/c1-17-10-6-5-8(7-12(10)24-15(17)21)16-14(20)9-3-2-4-11(13(9)19)18(22)23/h2-7,19H,1H3,(H,16,20).
What are the key properties of 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide?
2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide has a molecular weight of 329.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide is sourced from PubChem (CID 122149852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).