(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

C22H16N2O3 — CID 16608229

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESO=C(/C=C/c1cccc2cccnc12)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C22H16N2O3/c25-21(12-11-18-9-4-8-17-10-5-13-23-22(17)18)26-15-19-14-20(27-24-19)16-6-2-1-3-7-16/h1-14H,15H2/b12-11+
InChIKeyIZROCOMDNAXACG-VAWYXSNFSA-N
MW356.38 g/mol
LogP4.65
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate (PubChem CID 16608229) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
PubChem CID16608229
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
SMILESO=C(/C=C/c1cccc2cccnc12)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C22H16N2O3/c25-21(12-11-18-9-4-8-17-10-5-13-23-22(17)18)26-15-19-14-20(27-24-19)16-6-2-1-3-7-16/h1-14H,15H2/b12-11+
InChIKeyIZROCOMDNAXACG-VAWYXSNFSA-N
XLogP4.65
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607939
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
CID 16869469
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608171
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608100
(1,3-diphenylpyrazol-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608225
(3-chloro-1-benzothiophen-2-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 18286779
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607642
(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 55506352
[2-(dibenzylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607788
(7-hydroxy-2-oxochromen-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617786
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617840
(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate (CID 16608229) is (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate is O=C(/C=C/c1cccc2cccnc12)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
The InChIKey is IZROCOMDNAXACG-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-21(12-11-18-9-4-8-17-10-5-13-23-22(17)18)26-15-19-14-20(27-24-19)16-6-2-1-3-7-16/h1-14H,15H2/b12-11+.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate?
(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate has a molecular weight of 356.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate is sourced from PubChem (CID 16608229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).