5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole

C11H10N2O4 — CID 18465929

IUPAC5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole
SMILESCCOc1cc([N+](=O)[O-])ccc1-c1cnco1
InChIInChI=1S/C11H10N2O4/c1-2-16-10-5-8(13(14)15)3-4-9(10)11-6-12-7-17-11/h3-7H,2H2,1H3
InChIKeyWPJTZDXMMJPSEB-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.65
Rot. Bonds4

About 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole

5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole (PubChem CID 18465929) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole
PubChem CID18465929
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole
SMILESCCOc1cc([N+](=O)[O-])ccc1-c1cnco1
InChIInChI=1S/C11H10N2O4/c1-2-16-10-5-8(13(14)15)3-4-9(10)11-6-12-7-17-11/h3-7H,2H2,1H3
InChIKeyWPJTZDXMMJPSEB-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

[(Z)-[5-(2-ethoxy-4-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032883
5-(2-but-1-ynyl-5-nitrophenyl)-1,3-oxazole;4-but-1-ynyl-3-(1,3-oxazol-5-yl)aniline
CID 158642295
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
4-(2-ethoxy-4-nitrophenyl)-1,2,3,6-tetrahydropyridine
CID 168896943
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
CID 175152816
2-bromo-3-ethoxy-5-nitropyridine
CID 119000292
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
5-(2-methoxy-4-nitrophenyl)-4-methyl-1,3-oxazole
CID 90429374
N-[[5-(2-methoxy-4-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 104785126
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole?
The IUPAC name of 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole (CID 18465929) is 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole?
The canonical SMILES for 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole is CCOc1cc([N+](=O)[O-])ccc1-c1cnco1.
What is the InChIKey of 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole?
The InChIKey is WPJTZDXMMJPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-16-10-5-8(13(14)15)3-4-9(10)11-6-12-7-17-11/h3-7H,2H2,1H3.
What are the key properties of 5-(2-ethoxy-4-nitrophenyl)-1,3-oxazole?
5-(2-ethoxy-4-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-(2-ethoxy-4-nitrophenyl)-1,3-oxazole is sourced from PubChem (CID 18465929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).