2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole

C8H14N2O2 — CID 67275545

IUPAC2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole
SMILESCOCCCC(C)c1nnco1
InChIInChI=1S/C8H14N2O2/c1-7(4-3-5-11-2)8-10-9-6-12-8/h6-7H,3-5H2,1-2H3
InChIKeyNBHVHODFJDOEJT-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.60
Rot. Bonds5

About 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole

2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole (PubChem CID 67275545) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole
PubChem CID67275545
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole
SMILESCOCCCC(C)c1nnco1
InChIInChI=1S/C8H14N2O2/c1-7(4-3-5-11-2)8-10-9-6-12-8/h6-7H,3-5H2,1-2H3
InChIKeyNBHVHODFJDOEJT-UHFFFAOYSA-N
XLogP1.60
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.60
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-(5-methoxypentan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole (CID 67275545) is 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole is COCCCC(C)c1nnco1.
What is the InChIKey of 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole?
The InChIKey is NBHVHODFJDOEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(4-3-5-11-2)8-10-9-6-12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole?
2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole has a molecular weight of 170.21 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypentan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 67275545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).