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

C21H19F2N3O3 — CID 91907928

IUPAC[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C21H19F2N3O3/c22-16-7-3-5-14(11-16)21(27)26-10-4-6-15(12-26)20-24-19(29-25-20)13-28-18-9-2-1-8-17(18)23/h1-3,5,7-9,11,15H,4,6,10,12-13H2
InChIKeyDITYSGUBSNYZHG-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.95
Rot. Bonds5

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

[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 91907928) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID91907928
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C21H19F2N3O3/c22-16-7-3-5-14(11-16)21(27)26-10-4-6-15(12-26)20-24-19(29-25-20)13-28-18-9-2-1-8-17(18)23/h1-3,5,7-9,11,15H,4,6,10,12-13H2
InChIKeyDITYSGUBSNYZHG-UHFFFAOYSA-N
XLogP3.95
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (CID 91907928) is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is DITYSGUBSNYZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c22-16-7-3-5-14(11-16)21(27)26-10-4-6-15(12-26)20-24-19(29-25-20)13-28-18-9-2-1-8-17(18)23/h1-3,5,7-9,11,15H,4,6,10,12-13H2.
What are the key properties of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 399.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 91907928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).