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

C19H22N4O — CID 44577704

IUPAC3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(c3cnc4ccccc4c3)CC2)n1
InChIInChI=1S/C19H22N4O/c1-13(2)18-21-19(24-22-18)14-7-9-23(10-8-14)16-11-15-5-3-4-6-17(15)20-12-16/h3-6,11-14H,7-10H2,1-2H3
InChIKeyNRRZNGIZICBHHZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.13
Rot. Bonds3

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

3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 44577704) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID44577704
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(c3cnc4ccccc4c3)CC2)n1
InChIInChI=1S/C19H22N4O/c1-13(2)18-21-19(24-22-18)14-7-9-23(10-8-14)16-11-15-5-3-4-6-17(15)20-12-16/h3-6,11-14H,7-10H2,1-2H3
InChIKeyNRRZNGIZICBHHZ-UHFFFAOYSA-N
XLogP4.13
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 44577704) is 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is CC(C)c1noc(C2CCN(c3cnc4ccccc4c3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is NRRZNGIZICBHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)18-21-19(24-22-18)14-7-9-23(10-8-14)16-11-15-5-3-4-6-17(15)20-12-16/h3-6,11-14H,7-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 322.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 44577704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).