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

C19H18FN3O3 — CID 99992245

IUPAC[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C19H18FN3O3/c20-15-7-2-1-6-14(15)18-21-17(26-22-18)11-13-5-3-9-23(12-13)19(24)16-8-4-10-25-16/h1-2,4,6-8,10,13H,3,5,9,11-12H2/t13-/m1/s1
InChIKeyWWNLVPCFZDEWNN-CYBMUJFWSA-N
MW355.37 g/mol
LogP3.56
Rot. Bonds4

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

[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 99992245) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID99992245
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1
InChIInChI=1S/C19H18FN3O3/c20-15-7-2-1-6-14(15)18-21-17(26-22-18)11-13-5-3-9-23(12-13)19(24)16-8-4-10-25-16/h1-2,4,6-8,10,13H,3,5,9,11-12H2/t13-/m1/s1
InChIKeyWWNLVPCFZDEWNN-CYBMUJFWSA-N
XLogP3.56
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone (CID 99992245) is [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1.
What is the InChIKey of [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is WWNLVPCFZDEWNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-15-7-2-1-6-14(15)18-21-17(26-22-18)11-13-5-3-9-23(12-13)19(24)16-8-4-10-25-16/h1-2,4,6-8,10,13H,3,5,9,11-12H2/t13-/m1/s1.
What are the key properties of [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone?
[(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 355.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 99992245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).