ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate

C13H20N2O4 — CID 104693284

IUPACethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc(C2(OC)CCC2)no1
InChIInChI=1S/C13H20N2O4/c1-5-18-11(16)12(2,3)10-14-9(15-19-10)13(17-4)7-6-8-13/h5-8H2,1-4H3
InChIKeyOCESPUWQUYPFIC-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.94
Rot. Bonds5

About ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate

ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate (PubChem CID 104693284) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
PubChem CID104693284
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1nc(C2(OC)CCC2)no1
InChIInChI=1S/C13H20N2O4/c1-5-18-11(16)12(2,3)10-14-9(15-19-10)13(17-4)7-6-8-13/h5-8H2,1-4H3
InChIKeyOCESPUWQUYPFIC-UHFFFAOYSA-N
XLogP1.94
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate (CID 104693284) is ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)c1nc(C2(OC)CCC2)no1.
What is the InChIKey of ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
The InChIKey is OCESPUWQUYPFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-5-18-11(16)12(2,3)10-14-9(15-19-10)13(17-4)7-6-8-13/h5-8H2,1-4H3.
What are the key properties of ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate?
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate has a molecular weight of 268.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate is sourced from PubChem (CID 104693284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).