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

C16H14N2O4 — CID 7958020

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H14N2O4/c19-15(9-8-12-5-2-1-3-6-12)21-11-14-17-18-16(22-14)13-7-4-10-20-13/h1-7,10H,8-9,11H2
InChIKeyHOAUHLNQADPXQO-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.01
Rot. Bonds6

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate (PubChem CID 7958020) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
PubChem CID7958020
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H14N2O4/c19-15(9-8-12-5-2-1-3-6-12)21-11-14-17-18-16(22-14)13-7-4-10-20-13/h1-7,10H,8-9,11H2
InChIKeyHOAUHLNQADPXQO-UHFFFAOYSA-N
XLogP3.01
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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 2-[(2-phenylacetyl)amino]acetate
CID 8523315
[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 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362957
[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-benzoylphenoxy)acetate
CID 8925453
[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-nitrophenyl)acetate
CID 8765731
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
2-(furan-2-yl)-5-(7-phenylheptyl)-1,3,4-oxadiazole
CID 44577822
[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 9H-xanthene-9-carboxylate
CID 8013867

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate (CID 7958020) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate is O=C(CCc1ccccc1)OCc1nnc(-c2ccco2)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate?
The InChIKey is HOAUHLNQADPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15(9-8-12-5-2-1-3-6-12)21-11-14-17-18-16(22-14)13-7-4-10-20-13/h1-7,10H,8-9,11H2.
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate has a molecular weight of 298.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate is sourced from PubChem (CID 7958020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).