2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole

C13H22N2O2 — CID 126677268

IUPAC2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(C)CO[C@H](C)c1nnc(C2CC(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-8(2)7-16-10(4)12-14-15-13(17-12)11-5-9(3)6-11/h8-11H,5-7H2,1-4H3/t9?,10-,11?/m1/s1
InChIKeyONPMZPLNTDZTHN-HSOILSAZSA-N
MW238.33 g/mol
LogP3.32
Rot. Bonds5

About 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole

2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole (PubChem CID 126677268) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
PubChem CID126677268
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(C)CO[C@H](C)c1nnc(C2CC(C)C2)o1
InChIInChI=1S/C13H22N2O2/c1-8(2)7-16-10(4)12-14-15-13(17-12)11-5-9(3)6-11/h8-11H,5-7H2,1-4H3/t9?,10-,11?/m1/s1
InChIKeyONPMZPLNTDZTHN-HSOILSAZSA-N
XLogP3.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole (CID 126677268) is 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole is CC(C)CO[C@H](C)c1nnc(C2CC(C)C2)o1.
What is the InChIKey of 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
The InChIKey is ONPMZPLNTDZTHN-HSOILSAZSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)7-16-10(4)12-14-15-13(17-12)11-5-9(3)6-11/h8-11H,5-7H2,1-4H3/t9?,10-,11?/m1/s1.
What are the key properties of 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole has a molecular weight of 238.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclobutyl)-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 126677268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).