(4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C22H23NO4 — CID 134887172

IUPAC(4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCO[C@]1(C)C(=O)CC1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H23NO4/c1-3-26-22(2)17(14-18(22)24)23-19(15-10-6-4-7-11-15)20(27-21(23)25)16-12-8-5-9-13-16/h4-13,17,19-20H,3,14H2,1-2H3/t17?,19-,20+,22+/m1/s1
InChIKeyACUKIIAKFKODKO-DQYAGBDLSA-N
MW365.43 g/mol
LogP4.06
Rot. Bonds5

About (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 134887172) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID134887172
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCO[C@]1(C)C(=O)CC1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H23NO4/c1-3-26-22(2)17(14-18(22)24)23-19(15-10-6-4-7-11-15)20(27-21(23)25)16-12-8-5-9-13-16/h4-13,17,19-20H,3,14H2,1-2H3/t17?,19-,20+,22+/m1/s1
InChIKeyACUKIIAKFKODKO-DQYAGBDLSA-N
XLogP4.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 134887172) is (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one is CCO[C@]1(C)C(=O)CC1N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is ACUKIIAKFKODKO-DQYAGBDLSA-N. The full InChI is InChI=1S/C22H23NO4/c1-3-26-22(2)17(14-18(22)24)23-19(15-10-6-4-7-11-15)20(27-21(23)25)16-12-8-5-9-13-16/h4-13,17,19-20H,3,14H2,1-2H3/t17?,19-,20+,22+/m1/s1.
What are the key properties of (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2S)-2-ethoxy-2-methyl-3-oxocyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134887172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).