2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate

C16H17FN2O4 — CID 71868554

IUPAC2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(C2CC2)no1)OCCOc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4/c17-12-3-5-13(6-4-12)21-9-10-22-15(20)8-7-14-18-16(19-23-14)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyFBQAWIPWNGWYGF-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.64
Rot. Bonds8

About 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate

2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 71868554) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID71868554
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate
SMILESO=C(CCc1nc(C2CC2)no1)OCCOc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4/c17-12-3-5-13(6-4-12)21-9-10-22-15(20)8-7-14-18-16(19-23-14)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyFBQAWIPWNGWYGF-UHFFFAOYSA-N
XLogP2.64
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate (CID 71868554) is 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate is O=C(CCc1nc(C2CC2)no1)OCCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is FBQAWIPWNGWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-12-3-5-13(6-4-12)21-9-10-22-15(20)8-7-14-18-16(19-23-14)11-1-2-11/h3-6,11H,1-2,7-10H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate?
2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 320.32 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 71868554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).