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

C7H12N2O — CID 21026316

IUPAC2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCc1nnc(CC(C)C)o1
InChIInChI=1S/C7H12N2O/c1-5(2)4-7-9-8-6(3)10-7/h5H,4H2,1-3H3
InChIKeyWDMZMKMTNQOKOQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.58
Rot. Bonds2

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

2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole (PubChem CID 21026316) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole
PubChem CID21026316
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole
SMILESCc1nnc(CC(C)C)o1
InChIInChI=1S/C7H12N2O/c1-5(2)4-7-9-8-6(3)10-7/h5H,4H2,1-3H3
InChIKeyWDMZMKMTNQOKOQ-UHFFFAOYSA-N
XLogP1.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole (CID 21026316) is 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole is Cc1nnc(CC(C)C)o1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole?
The InChIKey is WDMZMKMTNQOKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)4-7-9-8-6(3)10-7/h5H,4H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole?
2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole has a molecular weight of 140.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 21026316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).