(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one

C19H19NO2 — CID 102477049

IUPAC(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(/C=C\c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-19(2)17(16-11-7-4-8-12-16)20(18(21)22-19)14-13-15-9-5-3-6-10-15/h3-14,17H,1-2H3/b14-13-/t17-/m0/s1
InChIKeyZWEXRLJNJXHFGF-NJWFCXLTSA-N
MW293.37 g/mol
LogP4.63
Rot. Bonds3

About (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one

(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 102477049) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID102477049
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(/C=C\c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-19(2)17(16-11-7-4-8-12-16)20(18(21)22-19)14-13-15-9-5-3-6-10-15/h3-14,17H,1-2H3/b14-13-/t17-/m0/s1
InChIKeyZWEXRLJNJXHFGF-NJWFCXLTSA-N
XLogP4.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 42604410
7-amino-2,2-dimethyl-4-(2-phenylethenyl)-3H-1,4-benzoxazine-3-carbaldehyde
CID 174562275
(4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134881893
4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione
CID 71425791
(4R)-3-[(1R)-1-(4-methoxyphenyl)propyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134926070
(1S,2S,4S,5R)-10,10-dimethyl-4-phenyl-9-oxa-7-azatricyclo[5.3.0.02,5]decan-8-one
CID 15515952
(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 26790195
(5S)-2,2-dimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-dioxolan-4-one
CID 125479499
(4S)-3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 51029940
3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 123487149
3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 67036550
5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
CID 123402499

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 102477049) is (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(/C=C\c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZWEXRLJNJXHFGF-NJWFCXLTSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2)17(16-11-7-4-8-12-16)20(18(21)22-19)14-13-15-9-5-3-6-10-15/h3-14,17H,1-2H3/b14-13-/t17-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102477049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).