methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

C10H14N2O4 — CID 79734885

IUPACmethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(C(C)OC)no2)CC1
InChIInChI=1S/C10H14N2O4/c1-6(14-2)7-11-8(16-12-7)10(4-5-10)9(13)15-3/h6H,4-5H2,1-3H3
InChIKeyFBRKHXSDASAXFY-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.98
Rot. Bonds4

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

methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 79734885) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID79734885
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(C(C)OC)no2)CC1
InChIInChI=1S/C10H14N2O4/c1-6(14-2)7-11-8(16-12-7)10(4-5-10)9(13)15-3/h6H,4-5H2,1-3H3
InChIKeyFBRKHXSDASAXFY-UHFFFAOYSA-N
XLogP0.98
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Oxadiazole-5-acetic acid, 3-(methoxymethyl)-, ethyl ester
CID 71683268
Lithium(1+) 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 165979194
Ethyl 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79471410
Methyl 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734287
Methyl 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79953711
Ethyl 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79954210
Ethyl 1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 82008648
Methyl 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 103146475
Ethyl 1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 103146476
Methyl 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 103146503
Ethyl 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 103146506
Ethyl 1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 103473187

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 79734885) is methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2nc(C(C)OC)no2)CC1.
What is the InChIKey of methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is FBRKHXSDASAXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(14-2)7-11-8(16-12-7)10(4-5-10)9(13)15-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79734885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).