(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one

C20H17F2NO2 — CID 134951393

IUPAC(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@]1(c2ccccc2)COC(=O)N1CC(=C)c1cc(F)ccc1F
InChIInChI=1S/C20H17F2NO2/c1-3-20(15-7-5-4-6-8-15)13-25-19(24)23(20)12-14(2)17-11-16(21)9-10-18(17)22/h3-11H,1-2,12-13H2/t20-/m1/s1
InChIKeyMUCCSULQVGAXEJ-HXUWFJFHSA-N
MW341.36 g/mol
LogP4.51
Rot. Bonds5

About (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 134951393) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID134951393
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Name(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@]1(c2ccccc2)COC(=O)N1CC(=C)c1cc(F)ccc1F
InChIInChI=1S/C20H17F2NO2/c1-3-20(15-7-5-4-6-8-15)13-25-19(24)23(20)12-14(2)17-11-16(21)9-10-18(17)22/h3-11H,1-2,12-13H2/t20-/m1/s1
InChIKeyMUCCSULQVGAXEJ-HXUWFJFHSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 44568311
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
3-[(2-Fluorophenyl)methyl]-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134808328
8-Acetyl-3-[(2-fluorophenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134810774
(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752749

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one (CID 134951393) is (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one is C=C[C@]1(c2ccccc2)COC(=O)N1CC(=C)c1cc(F)ccc1F.
What is the InChIKey of (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MUCCSULQVGAXEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17F2NO2/c1-3-20(15-7-5-4-6-8-15)13-25-19(24)23(20)12-14(2)17-11-16(21)9-10-18(17)22/h3-11H,1-2,12-13H2/t20-/m1/s1.
What are the key properties of (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 341.36 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134951393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).