[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate

C17H16N2O5 — CID 9272371

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C17H16N2O5/c1-2-12-5-7-13(8-6-12)22-11-16(20)23-10-15-18-19-17(24-15)14-4-3-9-21-14/h3-9H,2,10-11H2,1H3
InChIKeyOELMWOUPJRPJDL-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.01
Rot. Bonds7

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate (PubChem CID 9272371) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
PubChem CID9272371
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C17H16N2O5/c1-2-12-5-7-13(8-6-12)22-11-16(20)23-10-15-18-19-17(24-15)14-4-3-9-21-14/h3-9H,2,10-11H2,1H3
InChIKeyOELMWOUPJRPJDL-UHFFFAOYSA-N
XLogP3.01
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate
CID 8925453
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
CID 9139477
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 7885551
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 9454803
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523315
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(difluoromethoxy)benzoate
CID 7569541
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977889

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate (CID 9272371) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate?
The InChIKey is OELMWOUPJRPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-2-12-5-7-13(8-6-12)22-11-16(20)23-10-15-18-19-17(24-15)14-4-3-9-21-14/h3-9H,2,10-11H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate has a molecular weight of 328.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 9272371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).