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

C22H26N4O — CID 44577703

IUPAC3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2ncc(N3CCC(c4nc(C5CCCCC5)no4)CC3)cc2c1
InChIInChI=1S/C22H26N4O/c1-2-6-16(7-3-1)21-24-22(27-25-21)17-10-12-26(13-11-17)19-14-18-8-4-5-9-20(18)23-15-19/h4-5,8-9,14-17H,1-3,6-7,10-13H2
InChIKeySCDKFJPXXNPSOL-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.05
Rot. Bonds3

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

3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 44577703) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID44577703
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2ncc(N3CCC(c4nc(C5CCCCC5)no4)CC3)cc2c1
InChIInChI=1S/C22H26N4O/c1-2-6-16(7-3-1)21-24-22(27-25-21)17-10-12-26(13-11-17)19-14-18-8-4-5-9-20(18)23-15-19/h4-5,8-9,14-17H,1-3,6-7,10-13H2
InChIKeySCDKFJPXXNPSOL-UHFFFAOYSA-N
XLogP5.05
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 44577703) is 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is c1ccc2ncc(N3CCC(c4nc(C5CCCCC5)no4)CC3)cc2c1.
What is the InChIKey of 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is SCDKFJPXXNPSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-6-16(7-3-1)21-24-22(27-25-21)17-10-12-26(13-11-17)19-14-18-8-4-5-9-20(18)23-15-19/h4-5,8-9,14-17H,1-3,6-7,10-13H2.
What are the key properties of 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 362.48 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 44577703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).