(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate

C19H14BrNO3 — CID 7971823

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Br)cc1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H14BrNO3/c20-16-9-6-14(7-10-16)8-11-19(22)23-13-18-21-12-17(24-18)15-4-2-1-3-5-15/h1-12H,13H2/b11-8+
InChIKeyZQKKLOKSXXWHBA-DHZHZOJOSA-N
MW384.23 g/mol
LogP4.86
Rot. Bonds5

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

(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate (PubChem CID 7971823) has the molecular formula C19H14BrNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
PubChem CID7971823
Molecular FormulaC19H14BrNO3
Molecular Weight384.23 g/mol
Exact Mass383.02
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(Br)cc1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H14BrNO3/c20-16-9-6-14(7-10-16)8-11-19(22)23-13-18-21-12-17(24-18)15-4-2-1-3-5-15/h1-12H,13H2/b11-8+
InChIKeyZQKKLOKSXXWHBA-DHZHZOJOSA-N
XLogP4.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663862
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7971522
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 7712560
(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate
CID 71953934
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519072
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 41496961
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 30928179
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate
CID 8568341
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
ethyl (E)-3-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enoate
CID 140643650
2-(4-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid
CID 91213898
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925967

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate (CID 7971823) is (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate is O=C(/C=C/c1ccc(Br)cc1)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate?
The InChIKey is ZQKKLOKSXXWHBA-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H14BrNO3/c20-16-9-6-14(7-10-16)8-11-19(22)23-13-18-21-12-17(24-18)15-4-2-1-3-5-15/h1-12H,13H2/b11-8+.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate?
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate has a molecular weight of 384.23 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate is sourced from PubChem (CID 7971823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).