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

C7H12N2O2 — CID 90124998

IUPAC2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole
SMILESCCCOCc1nnc(C)o1
InChIInChI=1S/C7H12N2O2/c1-3-4-10-5-7-9-8-6(2)11-7/h3-5H2,1-2H3
InChIKeyHBZWYSOUOYDFEG-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.30
Rot. Bonds4

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

2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole (PubChem CID 90124998) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole
PubChem CID90124998
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole
SMILESCCCOCc1nnc(C)o1
InChIInChI=1S/C7H12N2O2/c1-3-4-10-5-7-9-8-6(2)11-7/h3-5H2,1-2H3
InChIKeyHBZWYSOUOYDFEG-UHFFFAOYSA-N
XLogP1.30
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole (CID 90124998) is 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole is CCCOCc1nnc(C)o1.
What is the InChIKey of 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole?
The InChIKey is HBZWYSOUOYDFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-10-5-7-9-8-6(2)11-7/h3-5H2,1-2H3.
What are the key properties of 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole?
2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole has a molecular weight of 156.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 90124998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).