2-methyl-5-propyl-1,3,4-oxadiazole

C6H10N2O — CID 15130211

IUPAC2-methyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C)o1
InChIInChI=1S/C6H10N2O/c1-3-4-6-8-7-5(2)9-6/h3-4H2,1-2H3
InChIKeyIRBMIURUDWUKLU-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-5-propyl-1,3,4-oxadiazole

2-methyl-5-propyl-1,3,4-oxadiazole (PubChem CID 15130211) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-methyl-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-propyl-1,3,4-oxadiazole
PubChem CID15130211
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-methyl-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C)o1
InChIInChI=1S/C6H10N2O/c1-3-4-6-8-7-5(2)9-6/h3-4H2,1-2H3
InChIKeyIRBMIURUDWUKLU-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-propyl-1,3,4-oxadiazole (CID 15130211) is 2-methyl-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-propyl-1,3,4-oxadiazole is CCCc1nnc(C)o1.
What is the InChIKey of 2-methyl-5-propyl-1,3,4-oxadiazole?
The InChIKey is IRBMIURUDWUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-4-6-8-7-5(2)9-6/h3-4H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-1,3,4-oxadiazole?
2-methyl-5-propyl-1,3,4-oxadiazole has a molecular weight of 126.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 15130211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).