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

C18H17Cl2N3OS — CID 92571582

IUPAC2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(CN2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc1Cl
InChIInChI=1S/C18H17Cl2N3OS/c19-13-7-6-12(10-14(13)20)11-23-8-2-1-4-15(23)17-21-22-18(24-17)16-5-3-9-25-16/h3,5-7,9-10,15H,1-2,4,8,11H2/t15-/m0/s1
InChIKeyHXUYZURPVUDDDQ-HNNXBMFYSA-N
MW394.33 g/mol
LogP5.83
Rot. Bonds4

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

2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 92571582) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID92571582
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC Name2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(CN2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc1Cl
InChIInChI=1S/C18H17Cl2N3OS/c19-13-7-6-12(10-14(13)20)11-23-8-2-1-4-15(23)17-21-22-18(24-17)16-5-3-9-25-16/h3,5-7,9-10,15H,1-2,4,8,11H2/t15-/m0/s1
InChIKeyHXUYZURPVUDDDQ-HNNXBMFYSA-N
XLogP5.83
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2R)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571581
2-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 110243157
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568358
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110235552
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 110217557
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 129486644
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571600
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
2-[(2R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571599
2-[4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 110219909
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylazepane
CID 46366576

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 92571582) is 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is Clc1ccc(CN2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc1Cl.
What is the InChIKey of 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is HXUYZURPVUDDDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c19-13-7-6-12(10-14(13)20)11-23-8-2-1-4-15(23)17-21-22-18(24-17)16-5-3-9-25-16/h3,5-7,9-10,15H,1-2,4,8,11H2/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 394.33 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92571582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).