3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole

C18H16Cl2N4O — CID 126791162

IUPAC3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESClc1ccc(N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)nc1
InChIInChI=1S/C18H16Cl2N4O/c19-13-5-6-16(21-11-13)24-9-7-12(8-10-24)18-22-17(23-25-18)14-3-1-2-4-15(14)20/h1-6,11-12H,7-10H2
InChIKeyRQFADMMQUBUTBU-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.82
Rot. Bonds3

About 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 126791162) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID126791162
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESClc1ccc(N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)nc1
InChIInChI=1S/C18H16Cl2N4O/c19-13-5-6-16(21-11-13)24-9-7-12(8-10-24)18-22-17(23-25-18)14-3-1-2-4-15(14)20/h1-6,11-12H,7-10H2
InChIKeyRQFADMMQUBUTBU-UHFFFAOYSA-N
XLogP4.82
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 126791162) is 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole is Clc1ccc(N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)nc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is RQFADMMQUBUTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c19-13-5-6-16(21-11-13)24-9-7-12(8-10-24)18-22-17(23-25-18)14-3-1-2-4-15(14)20/h1-6,11-12H,7-10H2.
What are the key properties of 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 375.26 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126791162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).