(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C22H21NO3 — CID 101055653

IUPAC(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC=C1CC=C(C)O[C@@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H21NO3/c1-15-13-14-16(2)25-21(15)23-19(17-9-5-3-6-10-17)20(26-22(23)24)18-11-7-4-8-12-18/h3-12,14,19-21H,1,13H2,2H3/t19-,20+,21+/m1/s1
InChIKeyULFDECASNVZHQH-HKBOAZHASA-N
MW347.41 g/mol
LogP5.13
Rot. Bonds3

About (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 101055653) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID101055653
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESC=C1CC=C(C)O[C@@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H21NO3/c1-15-13-14-16(2)25-21(15)23-19(17-9-5-3-6-10-17)20(26-22(23)24)18-11-7-4-8-12-18/h3-12,14,19-21H,1,13H2,2H3/t19-,20+,21+/m1/s1
InChIKeyULFDECASNVZHQH-HKBOAZHASA-N
XLogP5.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352
(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305
(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 42604161
(4R,5S)-3-[(2R,3R,6R)-2,6-dimethoxy-2-methyloxan-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101138120
(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
CID 54194620
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11442337
(4S,5R)-3-[(1S,2R,3R)-3-hydroxy-2-methoxy-2-methyl-3-prop-2-enylcyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 15505443
(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10499820
3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 123354245
(4R,5S)-3-[(1R,2R,3S)-3-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10813140
(4R,5S)-3-[(1R,4R,5R,6R)-4-methoxy-2-oxo-4-propyl-3,7-dioxabicyclo[4.1.0]heptan-5-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101029523
[4-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-2-yl]methyl methanesulfonate
CID 88772076

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 101055653) is (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is C=C1CC=C(C)O[C@@H]1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is ULFDECASNVZHQH-HKBOAZHASA-N. The full InChI is InChI=1S/C22H21NO3/c1-15-13-14-16(2)25-21(15)23-19(17-9-5-3-6-10-17)20(26-22(23)24)18-11-7-4-8-12-18/h3-12,14,19-21H,1,13H2,2H3/t19-,20+,21+/m1/s1.
What are the key properties of (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 347.41 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).