tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate

C27H34N2O5 — CID 166831660

IUPACtert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](Cc1ccccc1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C27H34N2O5/c1-27(2,3)34-25(31)28-16-10-15-22(17-20-11-6-4-7-12-20)24(30)29-23(19-33-26(29)32)18-21-13-8-5-9-14-21/h4-9,11-14,22-23H,10,15-19H2,1-3H3,(H,28,31)/t22-,23?/m1/s1
InChIKeyRGCFNCGBHNENDW-WTQRLHSKSA-N
MW466.58 g/mol
LogP4.74
Rot. Bonds9

About tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate

tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate (PubChem CID 166831660) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate
PubChem CID166831660
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Nametert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](Cc1ccccc1)C(=O)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C27H34N2O5/c1-27(2,3)34-25(31)28-16-10-15-22(17-20-11-6-4-7-12-20)24(30)29-23(19-33-26(29)32)18-21-13-8-5-9-14-21/h4-9,11-14,22-23H,10,15-19H2,1-3H3,(H,28,31)/t22-,23?/m1/s1
InChIKeyRGCFNCGBHNENDW-WTQRLHSKSA-N
XLogP4.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxobutyl]carbamate
CID 15675051
tert-butyl N-[7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5,7-dioxo-6-phenylheptyl]carbamate
CID 10983848
tert-butyl (3S)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxo-3-[(4-phenylphenyl)methyl]butanoate
CID 59061299
tert-butyl (3R)-3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)heptanoate
CID 54302293
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-7,7,7-trifluoroheptanoate
CID 126691126
3-benzyl-4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-4-oxobutanoic acid
CID 22397352
tert-butyl 2-[4-[(2R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-3-oxopropyl]phenyl]acetate
CID 156801488
tert-butyl N-[(2R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 134984153
tert-butyl 3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-6-phenylmethoxyhexanoate;2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylmethoxypentanoic acid
CID 161389702
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[(3-methoxyphenyl)methyl]-4-oxobutanoate
CID 51355179
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 10981603
tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
CID 20802578

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate (CID 166831660) is tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate is CC(C)(C)OC(=O)NCCC[C@H](Cc1ccccc1)C(=O)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate?
The InChIKey is RGCFNCGBHNENDW-WTQRLHSKSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-27(2,3)34-25(31)28-16-10-15-22(17-20-11-6-4-7-12-20)24(30)29-23(19-33-26(29)32)18-21-13-8-5-9-14-21/h4-9,11-14,22-23H,10,15-19H2,1-3H3,(H,28,31)/t22-,23?/m1/s1.
What are the key properties of tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate?
tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate has a molecular weight of 466.58 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate is sourced from PubChem (CID 166831660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).