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

C15H25N3O — CID 66468887

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C15H25N3O/c1-3-10(2)14-17-15(19-18-14)13-9-8-11-6-4-5-7-12(11)16-13/h10-13,16H,3-9H2,1-2H3
InChIKeyHCHRALVCCABUKR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds3

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

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole (PubChem CID 66468887) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole
PubChem CID66468887
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C15H25N3O/c1-3-10(2)14-17-15(19-18-14)13-9-8-11-6-4-5-7-12(11)16-13/h10-13,16H,3-9H2,1-2H3
InChIKeyHCHRALVCCABUKR-UHFFFAOYSA-N
XLogP3.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
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-butan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole (CID 66468887) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-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-butan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole is CCC(C)c1noc(C2CCC3CCCCC3N2)n1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole?
The InChIKey is HCHRALVCCABUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-10(2)14-17-15(19-18-14)13-9-8-11-6-4-5-7-12(11)16-13/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-butan-2-yl-1,2,4-oxadiazole has a molecular weight of 263.38 g/mol, XLogP of 3.57, 3 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-butan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 66468887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).