tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate

C27H30N2O5 — CID 124518299

IUPACtert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate
SMILESC[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C27H30N2O5/c1-18(14-24(30)29-20(17-33-26(29)32)15-19-10-6-5-7-11-19)22-16-28(25(31)34-27(2,3)4)23-13-9-8-12-21(22)23/h5-13,16,18,20H,14-15,17H2,1-4H3/t18-,20+/m1/s1
InChIKeyOMLXLFFQXLSSDW-QUCCMNQESA-N
MW462.55 g/mol
LogP5.51
Rot. Bonds5

About tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate

tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate (PubChem CID 124518299) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate
PubChem CID124518299
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Nametert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate
SMILESC[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1cn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C27H30N2O5/c1-18(14-24(30)29-20(17-33-26(29)32)15-19-10-6-5-7-11-19)22-16-28(25(31)34-27(2,3)4)23-13-9-8-12-21(22)23/h5-13,16,18,20H,14-15,17H2,1-4H3/t18-,20+/m1/s1
InChIKeyOMLXLFFQXLSSDW-QUCCMNQESA-N
XLogP5.51
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]butanoic acid
CID 24720875
(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 100948287
tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
CID 20802578
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
tert-butyl (3S)-3-[(2R)-1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
CID 176826601
tert-butyl (4S)-4-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;ethane
CID 142046249
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
tert-butyl N-[(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutyl]carbamate
CID 15675051
tert-butyl 2-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-methyl-3-oxopropyl]piperidine-1-carboxylate
CID 102582673
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate (CID 124518299) is tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate is C[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1cn(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate?
The InChIKey is OMLXLFFQXLSSDW-QUCCMNQESA-N. The full InChI is InChI=1S/C27H30N2O5/c1-18(14-24(30)29-20(17-33-26(29)32)15-19-10-6-5-7-11-19)22-16-28(25(31)34-27(2,3)4)23-13-9-8-12-21(22)23/h5-13,16,18,20H,14-15,17H2,1-4H3/t18-,20+/m1/s1.
What are the key properties of tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate?
tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]indole-1-carboxylate is sourced from PubChem (CID 124518299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).