ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate

C12H18N2O4 — CID 79617110

IUPACethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C(C)OC)no2)CCC1
InChIInChI=1S/C12H18N2O4/c1-4-17-11(15)12(6-5-7-12)10-13-9(14-18-10)8(2)16-3/h8H,4-7H2,1-3H3
InChIKeyRDOPLVVLHYBZOK-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.76
Rot. Bonds5

About ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate

ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate (PubChem CID 79617110) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
PubChem CID79617110
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C(C)OC)no2)CCC1
InChIInChI=1S/C12H18N2O4/c1-4-17-11(15)12(6-5-7-12)10-13-9(14-18-10)8(2)16-3/h8H,4-7H2,1-3H3
InChIKeyRDOPLVVLHYBZOK-UHFFFAOYSA-N
XLogP1.76
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate (CID 79617110) is ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate is CCOC(=O)C1(c2nc(C(C)OC)no2)CCC1.
What is the InChIKey of ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate?
The InChIKey is RDOPLVVLHYBZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-17-11(15)12(6-5-7-12)10-13-9(14-18-10)8(2)16-3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate?
ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 79617110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).