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

C10H8N4O4 — CID 62902190

IUPAC2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccon1
InChIInChI=1S/C10H8N4O4/c11-8-2-1-6(14(16)17)5-7(8)10(15)12-9-3-4-18-13-9/h1-5H,11H2,(H,12,13,15)
InChIKeySSMHDJHYJJZQID-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.42
Rot. Bonds3

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

2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 62902190) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
PubChem CID62902190
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccon1
InChIInChI=1S/C10H8N4O4/c11-8-2-1-6(14(16)17)5-7(8)10(15)12-9-3-4-18-13-9/h1-5H,11H2,(H,12,13,15)
InChIKeySSMHDJHYJJZQID-UHFFFAOYSA-N
XLogP1.42
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 62904187
2-amino-5-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62902191
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256
1-(2-methoxy-4-nitrophenyl)-3-(1,2-oxazol-3-yl)urea
CID 17282033
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532
2-amino-N-(1,2-benzothiazol-5-yl)-5-nitrobenzamide
CID 99830885
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
potassium 2-amino-5-nitrobenzoate
CID 171152190
2-nitro-N-(1,2-oxazol-3-yl)-5-(propylamino)benzamide
CID 62904145

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide (CID 62902190) is 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccon1.
What is the InChIKey of 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is SSMHDJHYJJZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c11-8-2-1-6(14(16)17)5-7(8)10(15)12-9-3-4-18-13-9/h1-5H,11H2,(H,12,13,15).
What are the key properties of 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide?
2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 248.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 62902190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).