5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole

C11H10N2O4 — CID 132589107

IUPAC5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole
SMILESCCOc1cnc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C11H10N2O4/c1-2-16-10-7-12-11(17-10)8-4-3-5-9(6-8)13(14)15/h3-7H,2H2,1H3
InChIKeyLZYPFPSUXBFVAU-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.65
Rot. Bonds4

About 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole

5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole (PubChem CID 132589107) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole
PubChem CID132589107
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole
SMILESCCOc1cnc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C11H10N2O4/c1-2-16-10-7-12-11(17-10)8-4-3-5-9(6-8)13(14)15/h3-7H,2H2,1H3
InChIKeyLZYPFPSUXBFVAU-UHFFFAOYSA-N
XLogP2.65
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
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

3-(4-ethoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46052852
ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
5-methoxy-2-(4-nitrophenyl)-1,3-oxazole
CID 11252973
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
CID 132589086
ethyl 2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 54007539
5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175523591
2-(3-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
CID 59680369
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
ethyl 6-(3-nitrophenyl)-4-oxopyran-2-carboxylate
CID 12784909
ethyl 5-methyl-3-(3-nitrophenyl)-1H-pyrazole-4-carboxylate
CID 101440422

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole?
The IUPAC name of 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole (CID 132589107) is 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole.
What is the SMILES notation for 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole?
The canonical SMILES for 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole is CCOc1cnc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole?
The InChIKey is LZYPFPSUXBFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-16-10-7-12-11(17-10)8-4-3-5-9(6-8)13(14)15/h3-7H,2H2,1H3.
What are the key properties of 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole?
5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole has a molecular weight of 234.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole is sourced from PubChem (CID 132589107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).