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

C18H20FN3O3 — CID 53003963

IUPAC[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C18H20FN3O3/c19-14-5-3-12(4-6-14)16-20-17(25-21-16)13-7-9-22(10-8-13)18(23)15-2-1-11-24-15/h3-6,13,15H,1-2,7-11H2
InChIKeyHQBJROAAZNSRMW-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.76
Rot. Bonds3

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

[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 53003963) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID53003963
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C18H20FN3O3/c19-14-5-3-12(4-6-14)16-20-17(25-21-16)13-7-9-22(10-8-13)18(23)15-2-1-11-24-15/h3-6,13,15H,1-2,7-11H2
InChIKeyHQBJROAAZNSRMW-UHFFFAOYSA-N
XLogP2.76
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95277119
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55406914
[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 99930914
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91946483
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 42760561
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53003960

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 53003963) is [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is HQBJROAAZNSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-5-3-12(4-6-14)16-20-17(25-21-16)13-7-9-22(10-8-13)18(23)15-2-1-11-24-15/h3-6,13,15H,1-2,7-11H2.
What are the key properties of [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 345.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 53003963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).