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

C24H19NO4 — CID 175348980

IUPAC3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1Oc1ccccc1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C24H19NO4/c26-23(25-21(17-28-24(25)27)18-9-3-1-4-10-18)16-15-19-11-7-8-14-22(19)29-20-12-5-2-6-13-20/h1-16,21H,17H2/b16-15+
InChIKeyVTYAWDXBSMQXBC-FOCLMDBBSA-N
MW385.42 g/mol
LogP5.21
Rot. Bonds5

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

3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 175348980) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID175348980
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccccc1Oc1ccccc1)N1C(=O)OCC1c1ccccc1
InChIInChI=1S/C24H19NO4/c26-23(25-21(17-28-24(25)27)18-9-3-1-4-10-18)16-15-19-11-7-8-14-22(19)29-20-12-5-2-6-13-20/h1-16,21H,17H2/b16-15+
InChIKeyVTYAWDXBSMQXBC-FOCLMDBBSA-N
XLogP5.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.21
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

(4S)-5,5-dideuterio-4-(4-fluorophenyl)-3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 177292997
(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696027
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
3-[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6293644
(4R)-3-[(E)-3-(3-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 167227898
(4S)-3-[(E)-3-(2-chloroquinolin-4-yl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696049
3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
CID 144871050
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
3-[(E)-3-(1-benzylindol-3-yl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6116601
(4S)-3-[(E)-3-(3-amino-4-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 12002759

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 175348980) is 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(/C=C/c1ccccc1Oc1ccccc1)N1C(=O)OCC1c1ccccc1.
What is the InChIKey of 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VTYAWDXBSMQXBC-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23(25-21(17-28-24(25)27)18-9-3-1-4-10-18)16-15-19-11-7-8-14-22(19)29-20-12-5-2-6-13-20/h1-16,21H,17H2/b16-15+.
What are the key properties of 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 385.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 175348980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).