2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole

C9H14N2O2 — CID 130643519

IUPAC2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole
SMILESCOC(C)c1nnc(C2CCC2)o1
InChIInChI=1S/C9H14N2O2/c1-6(12-2)8-10-11-9(13-8)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyHPJNHPNJIGJHLE-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.04
Rot. Bonds3

About 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole

2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole (PubChem CID 130643519) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole
PubChem CID130643519
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole
SMILESCOC(C)c1nnc(C2CCC2)o1
InChIInChI=1S/C9H14N2O2/c1-6(12-2)8-10-11-9(13-8)7-4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKeyHPJNHPNJIGJHLE-UHFFFAOYSA-N
XLogP2.04
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole (CID 130643519) is 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole is COC(C)c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole?
The InChIKey is HPJNHPNJIGJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12-2)8-10-11-9(13-8)7-4-3-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole?
2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole has a molecular weight of 182.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(1-methoxyethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130643519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).