5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide

C13H14N4O4 — CID 9278708

IUPAC5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C13H14N4O4/c1-9-8-11(16-21-9)13(18)15-7-6-14-10-4-2-3-5-12(10)17(19)20/h2-5,8,14H,6-7H2,1H3,(H,15,18)
InChIKeyIHEUOPYBBAYNPC-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.73
Rot. Bonds6

About 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 9278708) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID9278708
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])no1
InChIInChI=1S/C13H14N4O4/c1-9-8-11(16-21-9)13(18)15-7-6-14-10-4-2-3-5-12(10)17(19)20/h2-5,8,14H,6-7H2,1H3,(H,15,18)
InChIKeyIHEUOPYBBAYNPC-UHFFFAOYSA-N
XLogP1.73
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
5-fluoro-2-methyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 36937734
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
4-ethyl-5-methyl-N-[2-(2-nitroanilino)ethyl]thiophene-2-carboxamide
CID 9278788
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
2,4,5-trimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278201
2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
2-methyl-5-(methylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]benzamide
CID 55489558
5-methyl-N-[2-(2-nitroanilino)ethyl]-1H-indazole-3-carboxamide
CID 78868152
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide (CID 9278708) is 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])no1.
What is the InChIKey of 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IHEUOPYBBAYNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-9-8-11(16-21-9)13(18)15-7-6-14-10-4-2-3-5-12(10)17(19)20/h2-5,8,14H,6-7H2,1H3,(H,15,18).
What are the key properties of 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 9278708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).