3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole

C21H18ClN5O — CID 44577607

IUPAC3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESClc1cnccc1-c1noc(C2CCN(c3cnc4ccccc4c3)CC2)n1
InChIInChI=1S/C21H18ClN5O/c22-18-13-23-8-5-17(18)20-25-21(28-26-20)14-6-9-27(10-7-14)16-11-15-3-1-2-4-19(15)24-12-16/h1-5,8,11-14H,6-7,9-10H2
InChIKeyNDFFJTYPUYJISE-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.72
Rot. Bonds3

About 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole

3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 44577607) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID44577607
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESClc1cnccc1-c1noc(C2CCN(c3cnc4ccccc4c3)CC2)n1
InChIInChI=1S/C21H18ClN5O/c22-18-13-23-8-5-17(18)20-25-21(28-26-20)14-6-9-27(10-7-14)16-11-15-3-1-2-4-19(15)24-12-16/h1-5,8,11-14H,6-7,9-10H2
InChIKeyNDFFJTYPUYJISE-UHFFFAOYSA-N
XLogP4.72
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 44577607) is 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is Clc1cnccc1-c1noc(C2CCN(c3cnc4ccccc4c3)CC2)n1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is NDFFJTYPUYJISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-18-13-23-8-5-17(18)20-25-21(28-26-20)14-6-9-27(10-7-14)16-11-15-3-1-2-4-19(15)24-12-16/h1-5,8,11-14H,6-7,9-10H2.
What are the key properties of 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 391.86 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 44577607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).