(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C22H21NO3 — CID 101047352

IUPAC(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC1=C(C)[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC1=O
InChIInChI=1S/C22H21NO3/c1-14-15(2)19(24)13-18(14)23-20(16-9-5-3-6-10-16)21(26-22(23)25)17-11-7-4-8-12-17/h3-12,18,20-21H,13H2,1-2H3/t18-,20+,21-/m0/s1
InChIKeyVJTFHCRNVKFJPV-TYPHKJRUSA-N
MW347.41 g/mol
LogP4.60
Rot. Bonds3

About (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 101047352) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID101047352
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC1=C(C)[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC1=O
InChIInChI=1S/C22H21NO3/c1-14-15(2)19(24)13-18(14)23-20(16-9-5-3-6-10-16)21(26-22(23)25)17-11-7-4-8-12-17/h3-12,18,20-21H,13H2,1-2H3/t18-,20+,21-/m0/s1
InChIKeyVJTFHCRNVKFJPV-TYPHKJRUSA-N
XLogP4.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305
(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101055653
(4R,5S)-3-[(1S,2S)-2-[benzyl(dimethyl)silyl]cyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 42604161
tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate
CID 91382032
(4R,5S)-3-[(5R,9R)-7-oxo-1-oxaspiro[4.4]nonan-9-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10499820
(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
(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 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate
CID 88632622
3-cyclohexyl-5-methyl-4-phenyl-1,3-oxazolidin-2-one
CID 123354245
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 101047352) is (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is CC1=C(C)[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC1=O.
What is the InChIKey of (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is VJTFHCRNVKFJPV-TYPHKJRUSA-N. The full InChI is InChI=1S/C22H21NO3/c1-14-15(2)19(24)13-18(14)23-20(16-9-5-3-6-10-16)21(26-22(23)25)17-11-7-4-8-12-17/h3-12,18,20-21H,13H2,1-2H3/t18-,20+,21-/m0/s1.
What are the key properties of (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 347.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101047352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).