tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene

C50H68N4O10 — CID 176684765

IUPACtert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene
SMILESCN(CCCCC(=O)N1CCOC1=O)C(=O)OC(C)(C)C.Cc1ccc(CC(C(=O)N2C(=O)OCC2Cc2ccccc2)C2CCN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccccc1
InChIInChI=1S/C29H36N2O5.C14H24N2O5.C7H8/c1-20-10-12-22(13-11-20)17-25(23-14-15-30(18-23)27(33)36-29(2,3)4)26(32)31-24(19-35-28(31)34)16-21-8-6-5-7-9-21;1-14(2,3)21-12(18)15(4)8-6-5-7-11(17)16-9-10-20-13(16)19;1-7-5-3-2-4-6-7/h5-13,23-25H,14-19H2,1-4H3;5-10H2,1-4H3;2-6H,1H3
InChIKeyIEPVMSKZRQBHBN-UHFFFAOYSA-N
MW885.11 g/mol
LogP9.00
Rot. Bonds11

About tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene

tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene (PubChem CID 176684765) has the molecular formula C50H68N4O10 and a molecular weight of 885.11 g/mol. Its IUPAC name is tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene.

Molecular Properties

Compound Nametert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene
PubChem CID176684765
Molecular FormulaC50H68N4O10
Molecular Weight885.11 g/mol
Exact Mass884.49
IUPAC Nametert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene
SMILESCN(CCCCC(=O)N1CCOC1=O)C(=O)OC(C)(C)C.Cc1ccc(CC(C(=O)N2C(=O)OCC2Cc2ccccc2)C2CCN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccccc1
InChIInChI=1S/C29H36N2O5.C14H24N2O5.C7H8/c1-20-10-12-22(13-11-20)17-25(23-14-15-30(18-23)27(33)36-29(2,3)4)26(32)31-24(19-35-28(31)34)16-21-8-6-5-7-9-21;1-14(2,3)21-12(18)15(4)8-6-5-7-11(17)16-9-10-20-13(16)19;1-7-5-3-2-4-6-7/h5-13,23-25H,14-19H2,1-4H3;5-10H2,1-4H3;2-6H,1H3
InChIKeyIEPVMSKZRQBHBN-UHFFFAOYSA-N
XLogP9.00
TPSA152.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.11
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene with MolForge

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Related Compounds

tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;tert-butyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-1-carboxylate;toluene;1,3-xylene
CID 176684749
tert-butyl (3R)-3-[(2S)-1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(3-bromo-4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
CID 178180648
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 (3R)-3-[(2S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(2-bromo-4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
CID 178180647
tert-butyl N-[(4R)-4-benzyl-5-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-5-oxopentyl]carbamate
CID 166831660
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]pyrrolidine-1,3-dicarboxylate
CID 90130610
tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate
CID 53486929
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 2-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-methyl-3-oxopropyl]piperidine-1-carboxylate
CID 102582673
tert-butyl N-benzyl-N-[(2R,3S)-3-benzyl-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-4-oxobutyl]carbamate
CID 22842640
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 (3R)-3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)heptanoate
CID 54302293

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene?
The IUPAC name of tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene (CID 176684765) is tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene.
What is the SMILES notation for tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene?
The canonical SMILES for tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene is CN(CCCCC(=O)N1CCOC1=O)C(=O)OC(C)(C)C.Cc1ccc(CC(C(=O)N2C(=O)OCC2Cc2ccccc2)C2CCN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccccc1.
What is the InChIKey of tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene?
The InChIKey is IEPVMSKZRQBHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5.C14H24N2O5.C7H8/c1-20-10-12-22(13-11-20)17-25(23-14-15-30(18-23)27(33)36-29(2,3)4)26(32)31-24(19-35-28(31)34)16-21-8-6-5-7-9-21;1-14(2,3)21-12(18)15(4)8-6-5-7-11(17)16-9-10-20-13(16)19;1-7-5-3-2-4-6-7/h5-13,23-25H,14-19H2,1-4H3;5-10H2,1-4H3;2-6H,1H3.
What are the key properties of tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene?
tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene has a molecular weight of 885.11 g/mol, XLogP of 9.00, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate;tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)pentyl]carbamate;toluene is sourced from PubChem (CID 176684765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).