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

C19H18FN3O3 — CID 15947875

IUPAC[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H18FN3O3/c1-12-16(8-10-25-12)19(24)23-9-2-3-14(11-23)18-21-17(22-26-18)13-4-6-15(20)7-5-13/h4-8,10,14H,2-3,9,11H2,1H3/t14-/m0/s1
InChIKeyFGSKISOVLNNQFO-AWEZNQCLSA-N
MW355.37 g/mol
LogP3.80
Rot. Bonds3

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

[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 15947875) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID15947875
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H18FN3O3/c1-12-16(8-10-25-12)19(24)23-9-2-3-14(11-23)18-21-17(22-26-18)13-4-6-15(20)7-5-13/h4-8,10,14H,2-3,9,11H2,1H3/t14-/m0/s1
InChIKeyFGSKISOVLNNQFO-AWEZNQCLSA-N
XLogP3.80
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 15947875) is [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is FGSKISOVLNNQFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-16(8-10-25-12)19(24)23-9-2-3-14(11-23)18-21-17(22-26-18)13-4-6-15(20)7-5-13/h4-8,10,14H,2-3,9,11H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 355.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 15947875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).