5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole

C13H13Cl2N3O — CID 63026121

IUPAC5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nc(C2CCCNC2)no1
InChIInChI=1S/C13H13Cl2N3O/c14-9-4-1-5-10(15)11(9)13-17-12(18-19-13)8-3-2-6-16-7-8/h1,4-5,8,16H,2-3,6-7H2
InChIKeyADPVXYGLNHHIMQ-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.51
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole

5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63026121) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63026121
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nc(C2CCCNC2)no1
InChIInChI=1S/C13H13Cl2N3O/c14-9-4-1-5-10(15)11(9)13-17-12(18-19-13)8-3-2-6-16-7-8/h1,4-5,8,16H,2-3,6-7H2
InChIKeyADPVXYGLNHHIMQ-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
6-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 114040481
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
3-(2,3-dichlorophenyl)piperidine
CID 24904244
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
5-(3-chlorophenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129462471

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63026121) is 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole is Clc1cccc(Cl)c1-c1nc(C2CCCNC2)no1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is ADPVXYGLNHHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-9-4-1-5-10(15)11(9)13-17-12(18-19-13)8-3-2-6-16-7-8/h1,4-5,8,16H,2-3,6-7H2.
What are the key properties of 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 298.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63026121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).