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

C12H20N2O2 — CID 126677267

IUPAC2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(C)CO[C@H](C)c1nnc(C2CCC2)o1
InChIInChI=1S/C12H20N2O2/c1-8(2)7-15-9(3)11-13-14-12(16-11)10-5-4-6-10/h8-10H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyYFVPKPOWZWAIRR-SECBINFHSA-N
MW224.30 g/mol
LogP3.07
Rot. Bonds5

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

2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole (PubChem CID 126677267) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
PubChem CID126677267
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole
SMILESCC(C)CO[C@H](C)c1nnc(C2CCC2)o1
InChIInChI=1S/C12H20N2O2/c1-8(2)7-15-9(3)11-13-14-12(16-11)10-5-4-6-10/h8-10H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyYFVPKPOWZWAIRR-SECBINFHSA-N
XLogP3.07
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole (CID 126677267) is 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole is CC(C)CO[C@H](C)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
The InChIKey is YFVPKPOWZWAIRR-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)7-15-9(3)11-13-14-12(16-11)10-5-4-6-10/h8-10H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole?
2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole has a molecular weight of 224.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[(1R)-1-(2-methylpropoxy)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 126677267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).