ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate

C18H16N2O4 — CID 647355

IUPACethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O4/c1-2-22-16(21)12-23-15-10-8-14(9-11-15)18-20-19-17(24-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyBZAQOWWLZDSWSH-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.35
Rot. Bonds6

About ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate

ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate (PubChem CID 647355) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate
PubChem CID647355
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H16N2O4/c1-2-22-16(21)12-23-15-10-8-14(9-11-15)18-20-19-17(24-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyBZAQOWWLZDSWSH-UHFFFAOYSA-N
XLogP3.35
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate (CID 647355) is ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate is CCOC(=O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate?
The InChIKey is BZAQOWWLZDSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-22-16(21)12-23-15-10-8-14(9-11-15)18-20-19-17(24-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate?
ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate has a molecular weight of 324.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetate is sourced from PubChem (CID 647355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).