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

C15H12N2O5 — CID 7980221

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C15H12N2O5/c18-14(10-20-11-5-2-1-3-6-11)21-9-13-16-17-15(22-13)12-7-4-8-19-12/h1-8H,9-10H2
InChIKeyDUOUVYHBAWEECY-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.45
Rot. Bonds6

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate (PubChem CID 7980221) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
PubChem CID7980221
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C15H12N2O5/c18-14(10-20-11-5-2-1-3-6-11)21-9-13-16-17-15(22-13)12-7-4-8-19-12/h1-8H,9-10H2
InChIKeyDUOUVYHBAWEECY-UHFFFAOYSA-N
XLogP2.45
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.45
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-(4-benzoylphenoxy)acetate
CID 8925453
[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-phenylpropanoate
CID 7958020
[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-[(2-phenylacetyl)amino]acetate
CID 8523315
[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-hydroxybenzoate
CID 7797636
(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-nitrophenyl)acetate
CID 8765731
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413
[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 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362957

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate (CID 7980221) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate is O=C(COc1ccccc1)OCc1nnc(-c2ccco2)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate?
The InChIKey is DUOUVYHBAWEECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-14(10-20-11-5-2-1-3-6-11)21-9-13-16-17-15(22-13)12-7-4-8-19-12/h1-8H,9-10H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate has a molecular weight of 300.27 g/mol, XLogP of 2.45, 6 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-phenoxyacetate is sourced from PubChem (CID 7980221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).