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

C27H31NO6 — CID 135067175

IUPACethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C27H31NO6/c1-5-32-25(30)27(20-14-10-7-11-15-20)18(4)22(23(34-27)19-12-8-6-9-13-19)24(29)28-21(17(2)3)16-33-26(28)31/h6-15,17-18,21-23H,5,16H2,1-4H3/t18-,21+,22-,23-,27+/m0/s1
InChIKeyQGBFRWHZVFCFKJ-URRMKJPSSA-N
MW465.55 g/mol
LogP4.47
Rot. Bonds6

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

ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate (PubChem CID 135067175) has the molecular formula C27H31NO6 and a molecular weight of 465.55 g/mol. Its IUPAC name is ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
PubChem CID135067175
Molecular FormulaC27H31NO6
Molecular Weight465.55 g/mol
Exact Mass465.22
IUPAC Nameethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C27H31NO6/c1-5-32-25(30)27(20-14-10-7-11-15-20)18(4)22(23(34-27)19-12-8-6-9-13-19)24(29)28-21(17(2)3)16-33-26(28)31/h6-15,17-18,21-23H,5,16H2,1-4H3/t18-,21+,22-,23-,27+/m0/s1
InChIKeyQGBFRWHZVFCFKJ-URRMKJPSSA-N
XLogP4.47
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate (CID 135067175) is ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate is CCOC(=O)[C@@]1(c2ccccc2)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 (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
The InChIKey is QGBFRWHZVFCFKJ-URRMKJPSSA-N. The full InChI is InChI=1S/C27H31NO6/c1-5-32-25(30)27(20-14-10-7-11-15-20)18(4)22(23(34-27)19-12-8-6-9-13-19)24(29)28-21(17(2)3)16-33-26(28)31/h6-15,17-18,21-23H,5,16H2,1-4H3/t18-,21+,22-,23-,27+/m0/s1.
What are the key properties of ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate?
ethyl (2R,3S,4S,5R)-3-methyl-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 4.47, 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-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-2,5-diphenyloxolane-2-carboxylate is sourced from PubChem (CID 135067175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).