1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone

C23H22FN3O4 — CID 91905410

IUPAC1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Oc2ccc(-c3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C23H22FN3O4/c24-17-5-9-18(10-6-17)29-14-21(28)27-12-11-20(13-27)30-19-7-3-15(4-8-19)22-25-23(31-26-22)16-1-2-16/h3-10,16,20H,1-2,11-14H2
InChIKeyURWGWHVHRZDFDJ-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.81
Rot. Bonds7

About 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 91905410) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID91905410
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Oc2ccc(-c3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C23H22FN3O4/c24-17-5-9-18(10-6-17)29-14-21(28)27-12-11-20(13-27)30-19-7-3-15(4-8-19)22-25-23(31-26-22)16-1-2-16/h3-10,16,20H,1-2,11-14H2
InChIKeyURWGWHVHRZDFDJ-UHFFFAOYSA-N
XLogP3.81
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 91905410) is 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1CCC(Oc2ccc(-c3noc(C4CC4)n3)cc2)C1.
What is the InChIKey of 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is URWGWHVHRZDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c24-17-5-9-18(10-6-17)29-14-21(28)27-12-11-20(13-27)30-19-7-3-15(4-8-19)22-25-23(31-26-22)16-1-2-16/h3-10,16,20H,1-2,11-14H2.
What are the key properties of 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 423.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 91905410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).