3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole

C15H14N2O4 — CID 3160321

IUPAC3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2noc(-c3ccco3)n2)ccc1OC
InChIInChI=1S/C15H14N2O4/c1-3-19-13-9-10(6-7-11(13)18-2)14-16-15(21-17-14)12-5-4-8-20-12/h4-9H,3H2,1-2H3
InChIKeyZBMCZVPHLYZLRH-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.40
Rot. Bonds5

About 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole

3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 3160321) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID3160321
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2noc(-c3ccco3)n2)ccc1OC
InChIInChI=1S/C15H14N2O4/c1-3-19-13-9-10(6-7-11(13)18-2)14-16-15(21-17-14)12-5-4-8-20-12/h4-9H,3H2,1-2H3
InChIKeyZBMCZVPHLYZLRH-UHFFFAOYSA-N
XLogP3.40
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 100559933
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281999
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
5-[3-ethoxy-4-(2-(18F)fluoroethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 159007615
2-(4-ethoxy-3-methoxyphenyl)-4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 37061583
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole (CID 3160321) is 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole is CCOc1cc(-c2noc(-c3ccco3)n2)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZBMCZVPHLYZLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-19-13-9-10(6-7-11(13)18-2)14-16-15(21-17-14)12-5-4-8-20-12/h4-9H,3H2,1-2H3.
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 286.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 3160321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).