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

C12H19N3O — CID 66468883

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C12H19N3O/c1-8-13-12(16-15-8)11-7-6-9-4-2-3-5-10(9)14-11/h9-11,14H,2-7H2,1H3
InChIKeyUJCHHMAEDFENQX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.36
Rot. Bonds1

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

5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 66468883) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID66468883
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC3CCCCC3N2)n1
InChIInChI=1S/C12H19N3O/c1-8-13-12(16-15-8)11-7-6-9-4-2-3-5-10(9)14-11/h9-11,14H,2-7H2,1H3
InChIKeyUJCHHMAEDFENQX-UHFFFAOYSA-N
XLogP2.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.36
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-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole (CID 66468883) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-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-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCC3CCCCC3N2)n1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is UJCHHMAEDFENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-13-12(16-15-8)11-7-6-9-4-2-3-5-10(9)14-11/h9-11,14H,2-7H2,1H3.
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.36, 1 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-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 66468883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).