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

C13H18N2O4 — CID 116704720

IUPACethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3(OC)CCC3)no2)CC1
InChIInChI=1S/C13H18N2O4/c1-3-18-11(16)12(7-8-12)10-14-9(15-19-10)13(17-2)5-4-6-13/h3-8H2,1-2H3
InChIKeyAQYBGUZWVKAITD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.69
Rot. Bonds5

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

ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 116704720) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID116704720
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3(OC)CCC3)no2)CC1
InChIInChI=1S/C13H18N2O4/c1-3-18-11(16)12(7-8-12)10-14-9(15-19-10)13(17-2)5-4-6-13/h3-8H2,1-2H3
InChIKeyAQYBGUZWVKAITD-UHFFFAOYSA-N
XLogP1.69
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.69
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-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 116704720) is ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc(C3(OC)CCC3)no2)CC1.
What is the InChIKey of ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is AQYBGUZWVKAITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-11(16)12(7-8-12)10-14-9(15-19-10)13(17-2)5-4-6-13/h3-8H2,1-2H3.
What are the key properties of ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.69, 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-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116704720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).