2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide

C10H6BrN3O4 — CID 62904187

IUPAC2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C10H6BrN3O4/c11-8-2-1-6(14(16)17)5-7(8)10(15)12-9-3-4-18-13-9/h1-5H,(H,12,13,15)
InChIKeyMXMIBZJOMUNRJI-UHFFFAOYSA-N
MW312.08 g/mol
LogP2.60
Rot. Bonds3

About 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide

2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 62904187) has the molecular formula C10H6BrN3O4 and a molecular weight of 312.08 g/mol. Its IUPAC name is 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide
PubChem CID62904187
Molecular FormulaC10H6BrN3O4
Molecular Weight312.08 g/mol
Exact Mass310.95
IUPAC Name2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESO=C(Nc1ccon1)c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C10H6BrN3O4/c11-8-2-1-6(14(16)17)5-7(8)10(15)12-9-3-4-18-13-9/h1-5H,(H,12,13,15)
InChIKeyMXMIBZJOMUNRJI-UHFFFAOYSA-N
XLogP2.60
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62902190
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 15993765
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitrobenzamide
CID 1370156
2-bromo-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 55153172
2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
CID 103910150
2-bromo-N-(4-fluoro-3-methylphenyl)-5-nitrobenzamide
CID 62812667
2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 4506378
(2R)-2-[(2-bromo-5-nitrobenzoyl)amino]propanoic acid
CID 78979087
2-bromo-N-(2-bromo-6-fluorophenyl)-5-nitrobenzamide
CID 103741282

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide (CID 62904187) is 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide is O=C(Nc1ccon1)c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is MXMIBZJOMUNRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O4/c11-8-2-1-6(14(16)17)5-7(8)10(15)12-9-3-4-18-13-9/h1-5H,(H,12,13,15).
What are the key properties of 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 312.08 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 62904187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).