N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide

C13H13N3O5 — CID 84592048

IUPACN-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide
SMILESCCc1onc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C13H13N3O5/c1-3-11-12(7(2)15-21-11)14-13(18)8-4-5-9(16(19)20)10(17)6-8/h4-6,17H,3H2,1-2H3,(H,14,18)
InChIKeyIAIZIRJEFBRMQA-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.41
Rot. Bonds4

About N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide

N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide (PubChem CID 84592048) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide
PubChem CID84592048
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide
SMILESCCc1onc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C13H13N3O5/c1-3-11-12(7(2)15-21-11)14-13(18)8-4-5-9(16(19)20)10(17)6-8/h4-6,17H,3H2,1-2H3,(H,14,18)
InChIKeyIAIZIRJEFBRMQA-UHFFFAOYSA-N
XLogP2.41
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.41
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-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
3-hydroxy-4-nitro-N-octylbenzamide
CID 107076296
3-hydroxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 103712002
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
CID 37018543
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-nitrobenzamide
CID 102468027
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 102740461
3-hydroxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-nitrobenzamide
CID 95623049
3-hydroxy-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370606

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide (CID 84592048) is N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide is CCc1onc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is IAIZIRJEFBRMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-3-11-12(7(2)15-21-11)14-13(18)8-4-5-9(16(19)20)10(17)6-8/h4-6,17H,3H2,1-2H3,(H,14,18).
What are the key properties of N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide?
N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide has a molecular weight of 291.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 84592048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).