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

C19H20FN3O2S — CID 45188945

IUPAC5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1OCC1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C19H20FN3O2S/c20-15-6-1-2-7-16(15)24-13-14-5-3-9-23(11-14)12-18-21-19(22-25-18)17-8-4-10-26-17/h1-2,4,6-8,10,14H,3,5,9,11-13H2
InChIKeyCYKUSKHZFLSHDQ-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.23
Rot. Bonds6

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

5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 45188945) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID45188945
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1OCC1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C19H20FN3O2S/c20-15-6-1-2-7-16(15)24-13-14-5-3-9-23(11-14)12-18-21-19(22-25-18)17-8-4-10-26-17/h1-2,4,6-8,10,14H,3,5,9,11-13H2
InChIKeyCYKUSKHZFLSHDQ-UHFFFAOYSA-N
XLogP4.23
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 45188945) is 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Fc1ccccc1OCC1CCCN(Cc2nc(-c3cccs3)no2)C1.
What is the InChIKey of 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is CYKUSKHZFLSHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c20-15-6-1-2-7-16(15)24-13-14-5-3-9-23(11-14)12-18-21-19(22-25-18)17-8-4-10-26-17/h1-2,4,6-8,10,14H,3,5,9,11-13H2.
What are the key properties of 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 373.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 45188945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).