(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one

C22H25NO2 — CID 139037663

IUPAC(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one
SMILESC[C@H](/C(=C/N1C(=O)OC[C@H]1C)[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-16-15-25-22(24)23(16)14-21(17(2)19-10-6-4-7-11-19)18(3)20-12-8-5-9-13-20/h4-14,16-18H,15H2,1-3H3/b21-14-/t16-,17+,18-/m1/s1
InChIKeyATTFMOMZXZZGOZ-VEMLBNRLSA-N
MW335.45 g/mol
LogP5.32
Rot. Bonds5

About (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one

(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 139037663) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one
PubChem CID139037663
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one
SMILESC[C@H](/C(=C/N1C(=O)OC[C@H]1C)[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-16-15-25-22(24)23(16)14-21(17(2)19-10-6-4-7-11-19)18(3)20-12-8-5-9-13-20/h4-14,16-18H,15H2,1-3H3/b21-14-/t16-,17+,18-/m1/s1
InChIKeyATTFMOMZXZZGOZ-VEMLBNRLSA-N
XLogP5.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132969632
(4S)-4-benzyl-3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 177852177
(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one
CID 11023283
3-Styryl-oxazolidin-2-one
CID 13790906
3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978329
(4S)-4-benzyl-3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 141535283
3-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97928648
Ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 57075358
1,3-Bis(trifluoromethyl)benzene;3,4-dimethyl-1,3-oxazolidin-2-one;ethane
CID 143177491
1-Isobutyloxycarbonyl-4-phenyl-1,4-dihydropyridine
CID 21727263
tert-butyl (4R)-2,2-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate
CID 10758741
Ctk1C8419
CID 11256077

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one (CID 139037663) is (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one is C[C@H](/C(=C/N1C(=O)OC[C@H]1C)[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is ATTFMOMZXZZGOZ-VEMLBNRLSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16-15-25-22(24)23(16)14-21(17(2)19-10-6-4-7-11-19)18(3)20-12-8-5-9-13-20/h4-14,16-18H,15H2,1-3H3/b21-14-/t16-,17+,18-/m1/s1.
What are the key properties of (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one?
(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139037663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).