2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

C20H25Cl2N3O2 — CID 86873821

IUPAC2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCC(OC4CCCCC4)CC3)o2)c(Cl)c1
InChIInChI=1S/C20H25Cl2N3O2/c21-14-6-7-17(18(22)12-14)20-24-23-19(27-20)13-25-10-8-16(9-11-25)26-15-4-2-1-3-5-15/h6-7,12,15-16H,1-5,8-11,13H2
InChIKeyVRRVPYOFMUMWCT-UHFFFAOYSA-N
MW410.35 g/mol
LogP5.36
Rot. Bonds5

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

2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 86873821) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID86873821
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(CN3CCC(OC4CCCCC4)CC3)o2)c(Cl)c1
InChIInChI=1S/C20H25Cl2N3O2/c21-14-6-7-17(18(22)12-14)20-24-23-19(27-20)13-25-10-8-16(9-11-25)26-15-4-2-1-3-5-15/h6-7,12,15-16H,1-5,8-11,13H2
InChIKeyVRRVPYOFMUMWCT-UHFFFAOYSA-N
XLogP5.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 47523586
(3S)-1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123204
1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 47524949
2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 55470479
2-(2,4-dichlorophenyl)-5-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-1,3,4-oxadiazole
CID 71579662
N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide
CID 95042062
N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide
CID 75405374
(5-chloro-2-fluorophenyl)-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 55739837
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
2-(2,4-dichlorophenyl)-5-[(3-phenylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 86936661
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 55409921

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CID 86873821) is 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(CN3CCC(OC4CCCCC4)CC3)o2)c(Cl)c1.
What is the InChIKey of 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is VRRVPYOFMUMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O2/c21-14-6-7-17(18(22)12-14)20-24-23-19(27-20)13-25-10-8-16(9-11-25)26-15-4-2-1-3-5-15/h6-7,12,15-16H,1-5,8-11,13H2.
What are the key properties of 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 410.35 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexyloxypiperidin-1-yl)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 86873821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).