3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine

C11H11FN2O2 — CID 3830511

IUPAC3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2cc(N)on2)cc1F
InChIInChI=1S/C11H11FN2O2/c1-2-15-10-4-3-7(5-8(10)12)9-6-11(13)16-14-9/h3-6H,2,13H2,1H3
InChIKeyZGPQMHMPBZTRCU-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.46
Rot. Bonds3

About 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine

3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 3830511) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID3830511
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2cc(N)on2)cc1F
InChIInChI=1S/C11H11FN2O2/c1-2-15-10-4-3-7(5-8(10)12)9-6-11(13)16-14-9/h3-6H,2,13H2,1H3
InChIKeyZGPQMHMPBZTRCU-UHFFFAOYSA-N
XLogP2.46
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine (CID 3830511) is 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine is CCOc1ccc(-c2cc(N)on2)cc1F.
What is the InChIKey of 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is ZGPQMHMPBZTRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-15-10-4-3-7(5-8(10)12)9-6-11(13)16-14-9/h3-6H,2,13H2,1H3.
What are the key properties of 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine?
3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 222.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3830511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).