3-(5-ethoxy-1,2-oxazol-3-yl)aniline

C11H12N2O2 — CID 154683118

IUPAC3-(5-ethoxy-1,2-oxazol-3-yl)aniline
SMILESCCOc1cc(-c2cccc(N)c2)no1
InChIInChI=1S/C11H12N2O2/c1-2-14-11-7-10(13-15-11)8-4-3-5-9(12)6-8/h3-7H,2,12H2,1H3
InChIKeyMHZRATWFWYSCFK-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.32
Rot. Bonds3

About 3-(5-ethoxy-1,2-oxazol-3-yl)aniline

3-(5-ethoxy-1,2-oxazol-3-yl)aniline (PubChem CID 154683118) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(5-ethoxy-1,2-oxazol-3-yl)aniline.

Molecular Properties

Compound Name3-(5-ethoxy-1,2-oxazol-3-yl)aniline
PubChem CID154683118
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(5-ethoxy-1,2-oxazol-3-yl)aniline
SMILESCCOc1cc(-c2cccc(N)c2)no1
InChIInChI=1S/C11H12N2O2/c1-2-14-11-7-10(13-15-11)8-4-3-5-9(12)6-8/h3-7H,2,12H2,1H3
InChIKeyMHZRATWFWYSCFK-UHFFFAOYSA-N
XLogP2.32
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1,2-oxazol-3-yl)aniline?
The IUPAC name of 3-(5-ethoxy-1,2-oxazol-3-yl)aniline (CID 154683118) is 3-(5-ethoxy-1,2-oxazol-3-yl)aniline.
What is the SMILES notation for 3-(5-ethoxy-1,2-oxazol-3-yl)aniline?
The canonical SMILES for 3-(5-ethoxy-1,2-oxazol-3-yl)aniline is CCOc1cc(-c2cccc(N)c2)no1.
What is the InChIKey of 3-(5-ethoxy-1,2-oxazol-3-yl)aniline?
The InChIKey is MHZRATWFWYSCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-14-11-7-10(13-15-11)8-4-3-5-9(12)6-8/h3-7H,2,12H2,1H3.
What are the key properties of 3-(5-ethoxy-1,2-oxazol-3-yl)aniline?
3-(5-ethoxy-1,2-oxazol-3-yl)aniline has a molecular weight of 204.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1,2-oxazol-3-yl)aniline is sourced from PubChem (CID 154683118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).