4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide

C11H10N4O4 — CID 55135799

IUPAC4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2ccon2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c1-12-8-3-2-7(6-9(8)15(17)18)11(16)13-10-4-5-19-14-10/h2-6,12H,1H3,(H,13,14,16)
InChIKeyJNQOCCLUZRRCFB-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.88
Rot. Bonds4

About 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide

4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 55135799) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
PubChem CID55135799
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2ccon2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c1-12-8-3-2-7(6-9(8)15(17)18)11(16)13-10-4-5-19-14-10/h2-6,12H,1H3,(H,13,14,16)
InChIKeyJNQOCCLUZRRCFB-UHFFFAOYSA-N
XLogP1.88
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3,4-dichloro-5-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 55023839
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
N-(1,3-benzodioxol-5-yl)-4-(methylamino)-3-nitrobenzamide
CID 7406884
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 24658307
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
4-(methylamino)-N-(2-methylpentan-2-yl)-3-nitrobenzamide
CID 49416436
4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 115670988
2,5-dimethyl-N'-[4-(methylamino)-3-nitrobenzoyl]furan-3-carbohydrazide
CID 9156552

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide (CID 55135799) is 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide is CNc1ccc(C(=O)Nc2ccon2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is JNQOCCLUZRRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-12-8-3-2-7(6-9(8)15(17)18)11(16)13-10-4-5-19-14-10/h2-6,12H,1H3,(H,13,14,16).
What are the key properties of 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide?
4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-nitro-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 55135799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).