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

C32H35NO6 — CID 71734740

IUPACethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2cccc3ccccc23)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C32H35NO6/c1-5-37-30(35)32(18-24-16-11-15-22-12-9-10-17-25(22)24)21(4)27(28(39-32)23-13-7-6-8-14-23)29(34)33-26(20(2)3)19-38-31(33)36/h6-17,20-21,26-28H,5,18-19H2,1-4H3/t21-,26+,27-,28-,32-/m0/s1
InChIKeyWPIFBJJYSNABNW-SGCGOOBVSA-N
MW529.63 g/mol
LogP5.71
Rot. Bonds7

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

ethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate (PubChem CID 71734740) has the molecular formula C32H35NO6 and a molecular weight of 529.63 g/mol. Its IUPAC name is ethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-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)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
PubChem CID71734740
Molecular FormulaC32H35NO6
Molecular Weight529.63 g/mol
Exact Mass529.25
IUPAC Nameethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2cccc3ccccc23)O[C@@H](c2ccccc2)[C@@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)[C@@H]1C
InChIInChI=1S/C32H35NO6/c1-5-37-30(35)32(18-24-16-11-15-22-12-9-10-17-25(22)24)21(4)27(28(39-32)23-13-7-6-8-14-23)29(34)33-26(20(2)3)19-38-31(33)36/h6-17,20-21,26-28H,5,18-19H2,1-4H3/t21-,26+,27-,28-,32-/m0/s1
InChIKeyWPIFBJJYSNABNW-SGCGOOBVSA-N
XLogP5.71
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.63
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

ethyl 2-benzyl-5-(4-chlorophenyl)-3-methyl-4-(2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl)oxolane-2-carboxylate
CID 78163822
(4S)-3-[(2R,3S,4S)-5-oxo-2-phenyl-4-propan-2-yloxolane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102465070
ethyl (2S,3S,4S,5R)-2-benzyl-3-methyl-5-(4-nitrophenyl)-4-(2-oxo-1,3-oxazolidine-3-carbonyl)oxolane-2-carboxylate
CID 71734645
3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 175509313
ethyl (2S,3S,4S,5R)-2-benzyl-4-(hydroxymethyl)-3-methyl-5-phenyloxolane-2-carboxylate
CID 71734902
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15349555
(4S)-3-[(2R,3R,4R)-2-(iodomethyl)-2,4-dimethyloxetane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138975242
3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22912432
(4R)-3-[(3S,4S)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22871830
(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14383325
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-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)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate (CID 71734740) is ethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-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)-3-methyl-2-(naphthalen-1-ylmethyl)-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)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate is CCOC(=O)[C@@]1(Cc2cccc3ccccc23)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)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate?
The InChIKey is WPIFBJJYSNABNW-SGCGOOBVSA-N. The full InChI is InChI=1S/C32H35NO6/c1-5-37-30(35)32(18-24-16-11-15-22-12-9-10-17-25(22)24)21(4)27(28(39-32)23-13-7-6-8-14-23)29(34)33-26(20(2)3)19-38-31(33)36/h6-17,20-21,26-28H,5,18-19H2,1-4H3/t21-,26+,27-,28-,32-/m0/s1.
What are the key properties of ethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate?
ethyl (2S,3S,4S,5R)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate has a molecular weight of 529.63 g/mol, XLogP of 5.71, 7 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)-3-methyl-2-(naphthalen-1-ylmethyl)-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-5-phenyloxolane-2-carboxylate is sourced from PubChem (CID 71734740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).