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

C18H15ClFN3O2S — CID 121114608

IUPAC(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C18H15ClFN3O2S/c19-13-4-1-5-14(20)15(13)18(24)23-7-2-3-11(9-23)16-21-22-17(25-16)12-6-8-26-10-12/h1,4-6,8,10-11H,2-3,7,9H2
InChIKeyNHAOMAZPDQRPJQ-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.61
Rot. Bonds3

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

(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121114608) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID121114608
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C18H15ClFN3O2S/c19-13-4-1-5-14(20)15(13)18(24)23-7-2-3-11(9-23)16-21-22-17(25-16)12-6-8-26-10-12/h1,4-6,8,10-11H,2-3,7,9H2
InChIKeyNHAOMAZPDQRPJQ-UHFFFAOYSA-N
XLogP4.61
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114597
(2,4-dichlorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114606
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
2-(2-fluorophenoxy)-1-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92573098
(3-nitrophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114611
(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069158
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117
1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114690
(2-chloro-6-fluorophenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642575
(4-propan-2-yloxyphenyl)-[(3R)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426971

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121114608) is (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is NHAOMAZPDQRPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c19-13-4-1-5-14(20)15(13)18(24)23-7-2-3-11(9-23)16-21-22-17(25-16)12-6-8-26-10-12/h1,4-6,8,10-11H,2-3,7,9H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 391.86 g/mol, XLogP of 4.61, 3 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-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121114608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).