tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate

C27H33NO7 — CID 166447297

IUPACtert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate
SMILESCOc1cc(OC)cc([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)c1
InChIInChI=1S/C27H33NO7/c1-27(2,3)35-24(29)12-11-23(19-14-21(32-4)16-22(15-19)33-5)25(30)28-20(17-34-26(28)31)13-18-9-7-6-8-10-18/h6-10,14-16,20,23H,11-13,17H2,1-5H3/t20-,23-/m1/s1
InChIKeyUZROJLXUWQWHMR-NFBKMPQASA-N
MW483.56 g/mol
LogP4.50
Rot. Bonds9

About tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate

tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate (PubChem CID 166447297) has the molecular formula C27H33NO7 and a molecular weight of 483.56 g/mol. Its IUPAC name is tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate
PubChem CID166447297
Molecular FormulaC27H33NO7
Molecular Weight483.56 g/mol
Exact Mass483.23
IUPAC Nametert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate
SMILESCOc1cc(OC)cc([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)c1
InChIInChI=1S/C27H33NO7/c1-27(2,3)35-24(29)12-11-23(19-14-21(32-4)16-22(15-19)33-5)25(30)28-20(17-34-26(28)31)13-18-9-7-6-8-10-18/h6-10,14-16,20,23H,11-13,17H2,1-5H3/t20-,23-/m1/s1
InChIKeyUZROJLXUWQWHMR-NFBKMPQASA-N
XLogP4.50
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Succinimide, 2-(3,5-dimethoxyphenyl)-N-(morpholino)methyl-
CID 3050267
(4S)-4-benzyl-3-[3-(3,4,5-trimethoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 145965646
4-(4-methoxyphenyl)butyl (2S)-1-[2-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carboxylate
CID 9827817
4-(4-methoxyphenyl)butyl (2S)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CID 9957592
(2S,9S,13E)-2-cyclohexyl-18,21-dimethoxy-11,16-dioxa-4-azatricyclo[15.2.2.04,9]henicosa-1(19),13,17,20-tetraene-3,10-dione
CID 172640746
(2S,9S,13E)-2-cyclohexyl-22,25-dimethoxy-11,16,20-trioxa-4-azatricyclo[19.2.2.04,9]pentacosa-1(23),13,21,24-tetraene-3,10-dione
CID 172640747
(2S,9S,16E)-2-cyclohexyl-21,24-dimethoxy-11,14,19-trioxa-4-azatricyclo[18.2.2.04,9]tetracosa-1(22),16,20,23-tetraene-3,10-dione
CID 172640748
(2S,9S,14E)-2-cyclohexyl-20,23-dimethoxy-11,18-dioxa-4-azatricyclo[17.2.2.04,9]tricosa-1(21),14,19,22-tetraene-3,10-dione
CID 172640749
(2S,9S)-2-cyclohexyl-19,22-dimethoxy-11,17-dioxa-4-azatricyclo[16.2.2.04,9]docosa-1(20),18,21-triene-3,10-dione
CID 172640750
(2S,9S,14E)-2-cyclohexyl-19,22-dimethoxy-11,17-dioxa-4-azatricyclo[16.2.2.04,9]docosa-1(20),14,18,21-tetraene-3,10-dione
CID 172640751
(2S,9S)-2-cyclohexyl-20,23-dimethoxy-11,18-dioxa-4-azatricyclo[17.2.2.04,9]tricosa-1(21),19,22-triene-3,10-dione
CID 172640752
(2S,9S,12R,14E)-2-cyclohexyl-23,24-dimethoxy-12-methyl-11,17,21-trioxa-4-azatricyclo[20.3.1.04,9]hexacosa-1(26),14,22,24-tetraene-3,10-dione
CID 172640756

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate?
The IUPAC name of tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate (CID 166447297) is tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate.
What is the SMILES notation for tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate?
The canonical SMILES for tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate is COc1cc(OC)cc([C@@H](CCC(=O)OC(C)(C)C)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)c1.
What is the InChIKey of tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate?
The InChIKey is UZROJLXUWQWHMR-NFBKMPQASA-N. The full InChI is InChI=1S/C27H33NO7/c1-27(2,3)35-24(29)12-11-23(19-14-21(32-4)16-22(15-19)33-5)25(30)28-20(17-34-26(28)31)13-18-9-7-6-8-10-18/h6-10,14-16,20,23H,11-13,17H2,1-5H3/t20-,23-/m1/s1.
What are the key properties of tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate?
tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate has a molecular weight of 483.56 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-(3,5-dimethoxyphenyl)-5-oxopentanoate is sourced from PubChem (CID 166447297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).