5-(2-methylpropyl)oxadiazole

C6H10N2O — CID 69481380

IUPAC5-(2-methylpropyl)oxadiazole
SMILESCC(C)Cc1cnno1
InChIInChI=1S/C6H10N2O/c1-5(2)3-6-4-7-8-9-6/h4-5H,3H2,1-2H3
InChIKeyRUEKVXDEPXPZJE-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.27
Rot. Bonds2

About 5-(2-methylpropyl)oxadiazole

5-(2-methylpropyl)oxadiazole (PubChem CID 69481380) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-(2-methylpropyl)oxadiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)oxadiazole
PubChem CID69481380
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-(2-methylpropyl)oxadiazole
SMILESCC(C)Cc1cnno1
InChIInChI=1S/C6H10N2O/c1-5(2)3-6-4-7-8-9-6/h4-5H,3H2,1-2H3
InChIKeyRUEKVXDEPXPZJE-UHFFFAOYSA-N
XLogP1.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)oxadiazole?
The IUPAC name of 5-(2-methylpropyl)oxadiazole (CID 69481380) is 5-(2-methylpropyl)oxadiazole.
What is the SMILES notation for 5-(2-methylpropyl)oxadiazole?
The canonical SMILES for 5-(2-methylpropyl)oxadiazole is CC(C)Cc1cnno1.
What is the InChIKey of 5-(2-methylpropyl)oxadiazole?
The InChIKey is RUEKVXDEPXPZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)3-6-4-7-8-9-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)oxadiazole?
5-(2-methylpropyl)oxadiazole has a molecular weight of 126.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)oxadiazole is sourced from PubChem (CID 69481380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).