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

C28H33NO6 — CID 135067994

IUPACethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccc(C)cc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C28H33NO6/c1-6-33-26(31)28(21-10-8-7-9-11-21)19(5)23(24(35-28)20-14-12-18(4)13-15-20)25(30)29-22(17(2)3)16-34-27(29)32/h7-15,17,19,22-24H,6,16H2,1-5H3/t19-,22+,23-,24-,28+/m0/s1
InChIKeyRTONXYSDJJBHBM-LDPGJOAVSA-N
MW479.57 g/mol
LogP4.78
Rot. Bonds6

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

ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate (PubChem CID 135067994) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate
PubChem CID135067994
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Nameethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccc(C)cc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C28H33NO6/c1-6-33-26(31)28(21-10-8-7-9-11-21)19(5)23(24(35-28)20-14-12-18(4)13-15-20)25(30)29-22(17(2)3)16-34-27(29)32/h7-15,17,19,22-24H,6,16H2,1-5H3/t19-,22+,23-,24-,28+/m0/s1
InChIKeyRTONXYSDJJBHBM-LDPGJOAVSA-N
XLogP4.78
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate (CID 135067994) is ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate is CCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccc(C)cc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C.
What is the InChIKey of ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate?
The InChIKey is RTONXYSDJJBHBM-LDPGJOAVSA-N. The full InChI is InChI=1S/C28H33NO6/c1-6-33-26(31)28(21-10-8-7-9-11-21)19(5)23(24(35-28)20-14-12-18(4)13-15-20)25(30)29-22(17(2)3)16-34-27(29)32/h7-15,17,19,22-24H,6,16H2,1-5H3/t19-,22+,23-,24-,28+/m0/s1.
What are the key properties of ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate?
ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate has a molecular weight of 479.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4S,5R)-3-methyl-5-(4-methylphenyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2-phenyloxolane-2-carboxylate is sourced from PubChem (CID 135067994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).