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

C22H16N2O6 — CID 8925453

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C22H16N2O6/c25-20(29-13-19-23-24-22(30-19)18-7-4-12-27-18)14-28-17-10-8-16(9-11-17)21(26)15-5-2-1-3-6-15/h1-12H,13-14H2
InChIKeyXTRIIELKUZOABZ-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.68
Rot. Bonds8

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate (PubChem CID 8925453) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate
PubChem CID8925453
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C22H16N2O6/c25-20(29-13-19-23-24-22(30-19)18-7-4-12-27-18)14-28-17-10-8-16(9-11-17)21(26)15-5-2-1-3-6-15/h1-12H,13-14H2
InChIKeyXTRIIELKUZOABZ-UHFFFAOYSA-N
XLogP3.68
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-ethylphenoxy)acetate
CID 9272371
[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 3-phenylpropanoate
CID 7958020
[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 3-phenoxybenzoate
CID 7985148
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorobenzoyl)benzoate
CID 7812387
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-nitrophenoxy)acetate
CID 7769865
[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
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate (CID 8925453) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate is O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1nnc(-c2ccco2)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate?
The InChIKey is XTRIIELKUZOABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O6/c25-20(29-13-19-23-24-22(30-19)18-7-4-12-27-18)14-28-17-10-8-16(9-11-17)21(26)15-5-2-1-3-6-15/h1-12H,13-14H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate has a molecular weight of 404.38 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 8 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-benzoylphenoxy)acetate is sourced from PubChem (CID 8925453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).