(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate

C16H12N2O4 — CID 2377980

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H12N2O4/c19-15(9-8-13-7-4-10-20-13)21-11-14-17-18-16(22-14)12-5-2-1-3-6-12/h1-10H,11H2/b9-8+
InChIKeyVIFNWNGMTUDAJD-CMDGGOBGSA-N
MW296.28 g/mol
LogP3.09
Rot. Bonds5

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2377980) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2377980
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H12N2O4/c19-15(9-8-13-7-4-10-20-13)21-11-14-17-18-16(22-14)12-5-2-1-3-6-12/h1-10H,11H2/b9-8+
InChIKeyVIFNWNGMTUDAJD-CMDGGOBGSA-N
XLogP3.09
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate (CID 2377980) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C/c1ccco1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is VIFNWNGMTUDAJD-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-15(9-8-13-7-4-10-20-13)21-11-14-17-18-16(22-14)12-5-2-1-3-6-12/h1-10H,11H2/b9-8+.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 296.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2377980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).