[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

C19H16N2O5 — CID 18275961

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)Oc2ccc(-c3nnco3)cc2)cc(OC)c1
InChIInChI=1S/C19H16N2O5/c1-23-16-9-13(10-17(11-16)24-2)3-8-18(22)26-15-6-4-14(5-7-15)19-21-20-12-25-19/h3-12H,1-2H3/b8-3+
InChIKeyOAZISWIHSPVSJE-FPYGCLRLSA-N
MW352.35 g/mol
LogP3.37
Rot. Bonds6

About [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 18275961) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID18275961
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)Oc2ccc(-c3nnco3)cc2)cc(OC)c1
InChIInChI=1S/C19H16N2O5/c1-23-16-9-13(10-17(11-16)24-2)3-8-18(22)26-15-6-4-14(5-7-15)19-21-20-12-25-19/h3-12H,1-2H3/b8-3+
InChIKeyOAZISWIHSPVSJE-FPYGCLRLSA-N
XLogP3.37
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate
CID 7925435
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 16551636
(2-methoxyphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 26688230
(4-nitrophenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 43013492
(4-propanoylphenyl) (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 26691631
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 8893959
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925425
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
CID 174666755
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
[4-(1,3,4-oxadiazol-2-yl)phenyl] 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 16595101
(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8803322

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (CID 18275961) is [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is COc1cc(/C=C/C(=O)Oc2ccc(-c3nnco3)cc2)cc(OC)c1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is OAZISWIHSPVSJE-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-23-16-9-13(10-17(11-16)24-2)3-8-18(22)26-15-6-4-14(5-7-15)19-21-20-12-25-19/h3-12H,1-2H3/b8-3+.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 352.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 18275961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).