5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole

C17H27N3O — CID 66468885

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESC1CCC(c2noc(C3CCC4CCCCC4N3)n2)CC1
InChIInChI=1S/C17H27N3O/c1-2-7-13(8-3-1)16-19-17(21-20-16)15-11-10-12-6-4-5-9-14(12)18-15/h12-15,18H,1-11H2
InChIKeySLEBEPZHIQQZAW-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.10
Rot. Bonds2

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole (PubChem CID 66468885) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole
PubChem CID66468885
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESC1CCC(c2noc(C3CCC4CCCCC4N3)n2)CC1
InChIInChI=1S/C17H27N3O/c1-2-7-13(8-3-1)16-19-17(21-20-16)15-11-10-12-6-4-5-9-14(12)18-15/h12-15,18H,1-11H2
InChIKeySLEBEPZHIQQZAW-UHFFFAOYSA-N
XLogP4.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole (CID 66468885) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole is C1CCC(c2noc(C3CCC4CCCCC4N3)n2)CC1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole?
The InChIKey is SLEBEPZHIQQZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-7-13(8-3-1)16-19-17(21-20-16)15-11-10-12-6-4-5-9-14(12)18-15/h12-15,18H,1-11H2.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole has a molecular weight of 289.42 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-cyclohexyl-1,2,4-oxadiazole is sourced from PubChem (CID 66468885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).