3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole

C16H20N2O2 — CID 71924866

IUPAC3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H20N2O2/c1-3-19-12(2)14-17-15(20-18-14)16(10-7-11-16)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyJDKUGHAGEUJWTG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.64
Rot. Bonds5

About 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole

3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 71924866) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
PubChem CID71924866
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H20N2O2/c1-3-19-12(2)14-17-15(20-18-14)16(10-7-11-16)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
InChIKeyJDKUGHAGEUJWTG-UHFFFAOYSA-N
XLogP3.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-Bromophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620763
5-[4-(4-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620776
5-[4-(3-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 56785007
5-[1-(4-Fluorophenyl)cyclobutyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924872
5-[1-(4-Fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924875
5-[4-(4-Fluorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 72043276
N-{2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide
CID 100692660
5-[3-(4-Tert-butylphenyl)propyl]-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72840557
5-(1-Phenylcyclohexyl)-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72846883
3-Tert-butyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 53620787
3-Cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 53621745
3-Cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole
CID 56785001

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole (CID 71924866) is 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole is CCOC(C)c1noc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is JDKUGHAGEUJWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-19-12(2)14-17-15(20-18-14)16(10-7-11-16)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3.
What are the key properties of 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71924866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).