cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C18H20FN3O3 — CID 91907926

IUPACcyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C18H20FN3O3/c19-14-5-1-2-6-15(14)24-11-16-20-17(21-25-16)13-4-3-9-22(10-13)18(23)12-7-8-12/h1-2,5-6,12-13H,3-4,7-11H2
InChIKeyNEYAWOAAJCZIDB-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.90
Rot. Bonds5

About cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 91907926) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID91907926
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Namecyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C18H20FN3O3/c19-14-5-1-2-6-15(14)24-11-16-20-17(21-25-16)13-4-3-9-22(10-13)18(23)12-7-8-12/h1-2,5-6,12-13H,3-4,7-11H2
InChIKeyNEYAWOAAJCZIDB-UHFFFAOYSA-N
XLogP2.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 91907926) is cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is NEYAWOAAJCZIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-5-1-2-6-15(14)24-11-16-20-17(21-25-16)13-4-3-9-22(10-13)18(23)12-7-8-12/h1-2,5-6,12-13H,3-4,7-11H2.
What are the key properties of cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91907926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).