2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole

C13H22N2O — CID 58074393

IUPAC2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
SMILESCC1CCC(c2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C13H22N2O/c1-9-5-7-10(8-6-9)11-14-15-12(16-11)13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyIZWYZRISRMUQPT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.66
Rot. Bonds1

About 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole

2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole (PubChem CID 58074393) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
PubChem CID58074393
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole
SMILESCC1CCC(c2nnc(C(C)(C)C)o2)CC1
InChIInChI=1S/C13H22N2O/c1-9-5-7-10(8-6-9)11-14-15-12(16-11)13(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyIZWYZRISRMUQPT-UHFFFAOYSA-N
XLogP3.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole (CID 58074393) is 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole is CC1CCC(c2nnc(C(C)(C)C)o2)CC1.
What is the InChIKey of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
The InChIKey is IZWYZRISRMUQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-5-7-10(8-6-9)11-14-15-12(16-11)13(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole?
2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole has a molecular weight of 222.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methylcyclohexyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58074393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).