3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C19H16BrNO3 — CID 69375520

IUPAC3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3/c1-13-18(15-5-3-2-4-6-15)24-19(23)21(13)17(22)12-9-14-7-10-16(20)11-8-14/h2-13,18H,1H3/b12-9+
InChIKeyWBRJJRCJQWMDHV-FMIVXFBMSA-N
MW386.25 g/mol
LogP4.57
Rot. Bonds3

About 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 69375520) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID69375520
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3/c1-13-18(15-5-3-2-4-6-15)24-19(23)21(13)17(22)12-9-14-7-10-16(20)11-8-14/h2-13,18H,1H3/b12-9+
InChIKeyWBRJJRCJQWMDHV-FMIVXFBMSA-N
XLogP4.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 69375520) is 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC1C(c2ccccc2)OC(=O)N1C(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WBRJJRCJQWMDHV-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-13-18(15-5-3-2-4-6-15)24-19(23)21(13)17(22)12-9-14-7-10-16(20)11-8-14/h2-13,18H,1H3/b12-9+.
What are the key properties of 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 386.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69375520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).