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

C14H22N2O — CID 89470017

IUPAC2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(C2CCC3CC(C)CCC3C2)o1
InChIInChI=1S/C14H22N2O/c1-9-3-4-12-8-13(6-5-11(12)7-9)14-16-15-10(2)17-14/h9,11-13H,3-8H2,1-2H3
InChIKeyCBFPFYVIPQSVEF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.70
Rot. Bonds1

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

2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole (PubChem CID 89470017) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole
PubChem CID89470017
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole
SMILESCc1nnc(C2CCC3CC(C)CCC3C2)o1
InChIInChI=1S/C14H22N2O/c1-9-3-4-12-8-13(6-5-11(12)7-9)14-16-15-10(2)17-14/h9,11-13H,3-8H2,1-2H3
InChIKeyCBFPFYVIPQSVEF-UHFFFAOYSA-N
XLogP3.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole (CID 89470017) is 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole is Cc1nnc(C2CCC3CC(C)CCC3C2)o1.
What is the InChIKey of 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole?
The InChIKey is CBFPFYVIPQSVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-3-4-12-8-13(6-5-11(12)7-9)14-16-15-10(2)17-14/h9,11-13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole?
2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole has a molecular weight of 234.34 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 89470017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).