(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C19H17ClFN3O2S — CID 90642575

IUPAC(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C19H17ClFN3O2S/c20-14-4-1-5-15(21)17(14)19(25)24-7-2-3-12(10-24)9-16-22-18(23-26-16)13-6-8-27-11-13/h1,4-6,8,11-12H,2-3,7,9-10H2
InChIKeyIFKWJXXWSXWBQV-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.69
Rot. Bonds4

About (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642575) has the molecular formula C19H17ClFN3O2S and a molecular weight of 405.88 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID90642575
Molecular FormulaC19H17ClFN3O2S
Molecular Weight405.88 g/mol
Exact Mass405.07
IUPAC Name(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C19H17ClFN3O2S/c20-14-4-1-5-15(21)17(14)19(25)24-7-2-3-12(10-24)9-16-22-18(23-26-16)13-6-8-27-11-13/h1,4-6,8,11-12H,2-3,7,9-10H2
InChIKeyIFKWJXXWSXWBQV-UHFFFAOYSA-N
XLogP4.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642546
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642498
1-adamantyl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642539
(2-methoxyphenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642556
quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642632
(5-methylpyrazin-2-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642723
3-cyclohexyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642538
2-(4-fluorophenyl)sulfanyl-1-[(3S)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99878978
(3-phenyl-1H-pyrazol-5-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642502
2-propyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642532
2-pyrazol-1-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642645
N-(2-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642769

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642575) is (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is IFKWJXXWSXWBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2S/c20-14-4-1-5-15(21)17(14)19(25)24-7-2-3-12(10-24)9-16-22-18(23-26-16)13-6-8-27-11-13/h1,4-6,8,11-12H,2-3,7,9-10H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 405.88 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).