5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C19H20FN3OS — CID 25377720

IUPAC5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1CC1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H20FN3OS/c20-16-5-2-1-4-15(16)12-14-7-9-23(10-8-14)13-18-21-19(22-24-18)17-6-3-11-25-17/h1-6,11,14H,7-10,12-13H2
InChIKeyLYXCFPSIQQVTQJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.39
Rot. Bonds5

About 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 25377720) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID25377720
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1CC1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H20FN3OS/c20-16-5-2-1-4-15(16)12-14-7-9-23(10-8-14)13-18-21-19(22-24-18)17-6-3-11-25-17/h1-6,11,14H,7-10,12-13H2
InChIKeyLYXCFPSIQQVTQJ-UHFFFAOYSA-N
XLogP4.39
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
(4-fluoro-1-benzothiophen-2-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30215845
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
(3S)-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 29088707
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 25377720) is 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Fc1ccccc1CC1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is LYXCFPSIQQVTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c20-16-5-2-1-4-15(16)12-14-7-9-23(10-8-14)13-18-21-19(22-24-18)17-6-3-11-25-17/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 357.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25377720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).