5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide

C12H12N4O4 — CID 62167041

IUPAC5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C12H12N4O4/c1-7-5-11(15-20-7)14-12(17)9-6-8(13-2)3-4-10(9)16(18)19/h3-6,13H,1-2H3,(H,14,15,17)
InChIKeyMUSSRPPHJCBREC-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.19
Rot. Bonds4

About 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide

5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide (PubChem CID 62167041) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
PubChem CID62167041
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C12H12N4O4/c1-7-5-11(15-20-7)14-12(17)9-6-8(13-2)3-4-10(9)16(18)19/h3-6,13H,1-2H3,(H,14,15,17)
InChIKeyMUSSRPPHJCBREC-UHFFFAOYSA-N
XLogP2.19
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.19
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

4,5-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 884052
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
2,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 100921666
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
5-(methylamino)-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63672242
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
N-(2-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62166566
2-amino-6-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 107122878
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
5-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 62174870

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide?
The IUPAC name of 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide (CID 62167041) is 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide?
The canonical SMILES for 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide is CNc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide?
The InChIKey is MUSSRPPHJCBREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-5-11(15-20-7)14-12(17)9-6-8(13-2)3-4-10(9)16(18)19/h3-6,13H,1-2H3,(H,14,15,17).
What are the key properties of 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide?
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide has a molecular weight of 276.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 62167041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).