5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide

C11H10N4O4 — CID 19439788

IUPAC5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCCc1oncc1C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H10N4O4/c1-2-9-8(6-13-19-9)11(16)14-10-4-3-7(5-12-10)15(17)18/h3-6H,2H2,1H3,(H,12,14,16)
InChIKeyRGUPHLWDPQIFGM-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.79
Rot. Bonds4

About 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide

5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide (PubChem CID 19439788) has the molecular formula C11H10N4O4 and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
PubChem CID19439788
Molecular FormulaC11H10N4O4
Molecular Weight262.22 g/mol
Exact Mass262.07
IUPAC Name5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
SMILESCCc1oncc1C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H10N4O4/c1-2-9-8(6-13-19-9)11(16)14-10-4-3-7(5-12-10)15(17)18/h3-6H,2H2,1H3,(H,12,14,16)
InChIKeyRGUPHLWDPQIFGM-UHFFFAOYSA-N
XLogP1.79
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
CID 5187612
5-fluoro-2-hydroxy-N-(5-nitro-2-pyridinyl)benzamide
CID 71403106
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
CID 3590606
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide (CID 19439788) is 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide is CCc1oncc1C(=O)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RGUPHLWDPQIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-2-9-8(6-13-19-9)11(16)14-10-4-3-7(5-12-10)15(17)18/h3-6H,2H2,1H3,(H,12,14,16).
What are the key properties of 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide?
5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 19439788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).