ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate

C23H31NO6 — CID 71734738

IUPACethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(CC)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C23H31NO6/c1-6-23(21(26)28-7-2)15(5)18(19(30-23)16-11-9-8-10-12-16)20(25)24-17(14(3)4)13-29-22(24)27/h8-12,14-15,17-19H,6-7,13H2,1-5H3/t15-,17+,18-,19-,23-/m0/s1
InChIKeyOYYZFVZTEMNICD-HJRZZACTSA-N
MW417.50 g/mol
LogP3.73
Rot. Bonds6

About ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate

ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate (PubChem CID 71734738) has the molecular formula C23H31NO6 and a molecular weight of 417.50 g/mol. Its IUPAC name is ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
PubChem CID71734738
Molecular FormulaC23H31NO6
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Nameethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(CC)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C23H31NO6/c1-6-23(21(26)28-7-2)15(5)18(19(30-23)16-11-9-8-10-12-16)20(25)24-17(14(3)4)13-29-22(24)27/h8-12,14-15,17-19H,6-7,13H2,1-5H3/t15-,17+,18-,19-,23-/m0/s1
InChIKeyOYYZFVZTEMNICD-HJRZZACTSA-N
XLogP3.73
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate with MolForge

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Related Compounds

(4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-Diethyl-5'-[(1s)-1-Hydroxyethyl]-4-Methyloctahydro-2,2'-Bifuran-5-Yl}butanoyl]-4-Methyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 56684134
(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102172049
(4S)-3-[(2S,3S,4R)-6-oxo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102172055
dimethyl 5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
CID 3647164
methyl 1-[(2R,3S)-2-methyl-3-phenyloxirane-2-carbonyl]pyrrolidine-2-carboxylate
CID 12629855
(4S)-3-[(2S)-2-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-phenylmethoxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14704818
tert-butyl (2S,3S,4S,5R)-2-benzyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71733319
ethyl (2S,3S,4S,5R)-2-benzyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71734648
methyl (2S,3S,4S,5R)-2-benzyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
CID 71734826
3-(4-Tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
CID 72961866
(4S)-3-[(2R,3S,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102465061
(4S)-3-[(2R,3S,4S)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102465062

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate (CID 71734738) is ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate is CCOC(=O)[C@@]1(CC)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C.
What is the InChIKey of ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate?
The InChIKey is OYYZFVZTEMNICD-HJRZZACTSA-N. The full InChI is InChI=1S/C23H31NO6/c1-6-23(21(26)28-7-2)15(5)18(19(30-23)16-11-9-8-10-12-16)20(25)24-17(14(3)4)13-29-22(24)27/h8-12,14-15,17-19H,6-7,13H2,1-5H3/t15-,17+,18-,19-,23-/m0/s1.
What are the key properties of ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate?
ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate has a molecular weight of 417.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S,4S,5R)-2-ethyl-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate is sourced from PubChem (CID 71734738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).