2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole

C13H22N2O — CID 59462404

IUPAC2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCC(CC(C)C)CC2)o1
InChIInChI=1S/C13H22N2O/c1-9(2)8-11-4-6-12(7-5-11)13-15-14-10(3)16-13/h9,11-12H,4-8H2,1-3H3
InChIKeyRRONQBHFUIIUSR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.70
Rot. Bonds3

About 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole

2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole (PubChem CID 59462404) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole
PubChem CID59462404
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole
SMILESCc1nnc(C2CCC(CC(C)C)CC2)o1
InChIInChI=1S/C13H22N2O/c1-9(2)8-11-4-6-12(7-5-11)13-15-14-10(3)16-13/h9,11-12H,4-8H2,1-3H3
InChIKeyRRONQBHFUIIUSR-UHFFFAOYSA-N
XLogP3.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
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-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole (CID 59462404) is 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole is Cc1nnc(C2CCC(CC(C)C)CC2)o1.
What is the InChIKey of 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole?
The InChIKey is RRONQBHFUIIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)8-11-4-6-12(7-5-11)13-15-14-10(3)16-13/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole?
2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole has a molecular weight of 222.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-methylpropyl)cyclohexyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59462404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).