2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole

C11H20N2O2 — CID 91196425

IUPAC2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole
SMILESCC(C)COCCCC(C)c1nnco1
InChIInChI=1S/C11H20N2O2/c1-9(2)7-14-6-4-5-10(3)11-13-12-8-15-11/h8-10H,4-7H2,1-3H3
InChIKeyJWKWFZRIBTTXAX-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.63
Rot. Bonds7

About 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole

2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole (PubChem CID 91196425) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole
PubChem CID91196425
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole
SMILESCC(C)COCCCC(C)c1nnco1
InChIInChI=1S/C11H20N2O2/c1-9(2)7-14-6-4-5-10(3)11-13-12-8-15-11/h8-10H,4-7H2,1-3H3
InChIKeyJWKWFZRIBTTXAX-UHFFFAOYSA-N
XLogP2.63
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.63
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-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole (CID 91196425) is 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole is CC(C)COCCCC(C)c1nnco1.
What is the InChIKey of 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole?
The InChIKey is JWKWFZRIBTTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)7-14-6-4-5-10(3)11-13-12-8-15-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole?
2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole has a molecular weight of 212.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropoxy)pentan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 91196425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).