2-methyl-1,3,4-oxadiazole;propane

C6H12N2O — CID 143722699

IUPAC2-methyl-1,3,4-oxadiazole;propane
SMILESCCC.Cc1nnco1
InChIInChI=1S/C3H4N2O.C3H8/c1-3-5-4-2-6-3;1-3-2/h2H,1H3;3H2,1-2H3
InChIKeyJFPMVQAFGOVZMI-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.79
Rot. Bonds

About 2-methyl-1,3,4-oxadiazole;propane

2-methyl-1,3,4-oxadiazole;propane (PubChem CID 143722699) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methyl-1,3,4-oxadiazole;propane.

Molecular Properties

Compound Name2-methyl-1,3,4-oxadiazole;propane
PubChem CID143722699
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-methyl-1,3,4-oxadiazole;propane
SMILESCCC.Cc1nnco1
InChIInChI=1S/C3H4N2O.C3H8/c1-3-5-4-2-6-3;1-3-2/h2H,1H3;3H2,1-2H3
InChIKeyJFPMVQAFGOVZMI-UHFFFAOYSA-N
XLogP1.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4-oxadiazole;propane?
The IUPAC name of 2-methyl-1,3,4-oxadiazole;propane (CID 143722699) is 2-methyl-1,3,4-oxadiazole;propane.
What is the SMILES notation for 2-methyl-1,3,4-oxadiazole;propane?
The canonical SMILES for 2-methyl-1,3,4-oxadiazole;propane is CCC.Cc1nnco1.
What is the InChIKey of 2-methyl-1,3,4-oxadiazole;propane?
The InChIKey is JFPMVQAFGOVZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O.C3H8/c1-3-5-4-2-6-3;1-3-2/h2H,1H3;3H2,1-2H3.
What are the key properties of 2-methyl-1,3,4-oxadiazole;propane?
2-methyl-1,3,4-oxadiazole;propane has a molecular weight of 128.17 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4-oxadiazole;propane is sourced from PubChem (CID 143722699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).