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

C18H18FN3OS — CID 110235552

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CN2CCCC(c3nnc(-c4cccs4)o3)C2)cc1
InChIInChI=1S/C18H18FN3OS/c19-15-7-5-13(6-8-15)11-22-9-1-3-14(12-22)17-20-21-18(23-17)16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2
InChIKeyUHTJFKHJBSRYOQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.32
Rot. Bonds4

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

2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 110235552) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID110235552
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CN2CCCC(c3nnc(-c4cccs4)o3)C2)cc1
InChIInChI=1S/C18H18FN3OS/c19-15-7-5-13(6-8-15)11-22-9-1-3-14(12-22)17-20-21-18(23-17)16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2
InChIKeyUHTJFKHJBSRYOQ-UHFFFAOYSA-N
XLogP4.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 110235552) is 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is Fc1ccc(CN2CCCC(c3nnc(-c4cccs4)o3)C2)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is UHTJFKHJBSRYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-15-7-5-13(6-8-15)11-22-9-1-3-14(12-22)17-20-21-18(23-17)16-4-2-10-24-16/h2,4-8,10,14H,1,3,9,11-12H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 343.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110235552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).