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

C50H72N4O10 — CID 176684749

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCOC2=O)C1.CN(CCCCC(=O)N1CCOC1=O)C(=O)OC(C)(C)C.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H22N2O5.C14H24N2O5.C8H10.2C7H8/c1-14(2,3)21-12(18)15-5-4-10(9-15)8-11(17)16-6-7-20-13(16)19;1-14(2,3)21-12(18)15(4)8-6-5-7-11(17)16-9-10-20-13(16)19;1-7-4-3-5-8(2)6-7;2*1-7-5-3-2-4-6-7/h10H,4-9H2,1-3H3;5-10H2,1-4H3;3-6H,1-2H3;2*2-6H,1H3
InChIKeyNRWUFJHBXIOZSF-UHFFFAOYSA-N
MW889.14 g/mol
LogP9.91
Rot. Bonds7

About 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

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 (PubChem CID 176684749) has the molecular formula C50H72N4O10 and a molecular weight of 889.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID176684749
Molecular FormulaC50H72N4O10
Molecular Weight889.14 g/mol
Exact Mass888.52
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)N2CCOC2=O)C1.CN(CCCCC(=O)N1CCOC1=O)C(=O)OC(C)(C)C.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H22N2O5.C14H24N2O5.C8H10.2C7H8/c1-14(2,3)21-12(18)15-5-4-10(9-15)8-11(17)16-6-7-20-13(16)19;1-14(2,3)21-12(18)15(4)8-6-5-7-11(17)16-9-10-20-13(16)19;1-7-4-3-5-8(2)6-7;2*1-7-5-3-2-4-6-7/h10H,4-9H2,1-3H3;5-10H2,1-4H3;3-6H,1-2H3;2*2-6H,1H3
InChIKeyNRWUFJHBXIOZSF-UHFFFAOYSA-N
XLogP9.91
TPSA152.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.14
LogP ≤ 59.91
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 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 with MolForge

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Related Compounds

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
tert-butyl (3R)-3-[[(3-methylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99854116
tert-butyl (3S)-3-[[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97167557
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
tert-butyl 3-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647743
tert-butyl (3S)-3-[2-oxo-2-(4-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)ethyl]pyrrolidine-1-carboxylate
CID 159325880
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
tert-butyl 4-[(N,4-dimethylanilino)methyl]piperidine-1-carboxylate;ethane
CID 156860747
tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 97254191
tert-butyl (3R,4S)-3-amino-4-(3-methylphenyl)piperidine-1-carboxylate
CID 39872174
tert-butyl 3-[(3-aminophenyl)methyl]pyrrolidine-1-carboxylate
CID 45074451

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCOC2=O)C1.CN(CCCCC(=O)N1CCOC1=O)C(=O)OC(C)(C)C.Cc1cccc(C)c1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of 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?
The InChIKey is NRWUFJHBXIOZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5.C14H24N2O5.C8H10.2C7H8/c1-14(2,3)21-12(18)15-5-4-10(9-15)8-11(17)16-6-7-20-13(16)19;1-14(2,3)21-12(18)15(4)8-6-5-7-11(17)16-9-10-20-13(16)19;1-7-4-3-5-8(2)6-7;2*1-7-5-3-2-4-6-7/h10H,4-9H2,1-3H3;5-10H2,1-4H3;3-6H,1-2H3;2*2-6H,1H3.
What are the key properties of 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?
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 has a molecular weight of 889.14 g/mol, XLogP of 9.91, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176684749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).