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

C14H14N2O4 — CID 79734676

IUPACmethyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccccc3OC)no2)CC1
InChIInChI=1S/C14H14N2O4/c1-18-10-6-4-3-5-9(10)11-15-12(20-16-11)14(7-8-14)13(17)19-2/h3-6H,7-8H2,1-2H3
InChIKeyFRKGGEQWRHUUAT-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.95
Rot. Bonds4

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

methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 79734676) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID79734676
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccccc3OC)no2)CC1
InChIInChI=1S/C14H14N2O4/c1-18-10-6-4-3-5-9(10)11-15-12(20-16-11)14(7-8-14)13(17)19-2/h3-6H,7-8H2,1-2H3
InChIKeyFRKGGEQWRHUUAT-UHFFFAOYSA-N
XLogP1.95
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 79734676) is methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2nc(-c3ccccc3OC)no2)CC1.
What is the InChIKey of methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is FRKGGEQWRHUUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-18-10-6-4-3-5-9(10)11-15-12(20-16-11)14(7-8-14)13(17)19-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79734676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).