5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide

C12H11N3O4 — CID 17255520

IUPAC5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C12H11N3O4/c1-7-6-10(14-19-7)12(16)13-9-4-3-5-11(8(9)2)15(17)18/h3-6H,1-2H3,(H,13,16)
InChIKeyIKMLAIMDCOEIDB-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.45
Rot. Bonds3

About 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17255520) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
PubChem CID17255520
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C12H11N3O4/c1-7-6-10(14-19-7)12(16)13-9-4-3-5-11(8(9)2)15(17)18/h3-6H,1-2H3,(H,13,16)
InChIKeyIKMLAIMDCOEIDB-UHFFFAOYSA-N
XLogP2.45
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.45
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

5-methyl-N-[2-(2-nitroanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 9278708
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131897206
N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide
CID 17420585
(2-methyl-3-nitrophenyl)urea
CID 22416531
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
4-bromo-N-(2-methyl-3-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 18097680
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide (CID 17255520) is 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)no1.
What is the InChIKey of 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IKMLAIMDCOEIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-7-6-10(14-19-7)12(16)13-9-4-3-5-11(8(9)2)15(17)18/h3-6H,1-2H3,(H,13,16).
What are the key properties of 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17255520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).