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

C17H16N2O5 — CID 9139477

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C17H16N2O5/c1-12-4-6-13(7-5-12)21-10-8-16(20)23-11-15-18-19-17(24-15)14-3-2-9-22-14/h2-7,9H,8,10-11H2,1H3
InChIKeyZMRFKJSFLTWASV-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.15
Rot. Bonds7

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate (PubChem CID 9139477) 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 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
PubChem CID9139477
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C17H16N2O5/c1-12-4-6-13(7-5-12)21-10-8-16(20)23-11-15-18-19-17(24-15)14-3-2-9-22-14/h2-7,9H,8,10-11H2,1H3
InChIKeyZMRFKJSFLTWASV-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-ethylphenoxy)acetate
CID 9272371
[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-phenylpropanoate
CID 7958020
[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 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362957
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7976985
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 84601948
[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
[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]boronic acid
CID 123335106

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate (CID 9139477) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate?
The InChIKey is ZMRFKJSFLTWASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-12-4-6-13(7-5-12)21-10-8-16(20)23-11-15-18-19-17(24-15)14-3-2-9-22-14/h2-7,9H,8,10-11H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate has a molecular weight of 328.32 g/mol, XLogP of 3.15, 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 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 9139477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).