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

C25H38N2O6 — CID 142046249

IUPACtert-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
SMILESCC.CC(C)(C)OC(=O)N1[C@@H](CCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)COC1(C)C
InChIInChI=1S/C23H32N2O6.C2H6/c1-22(2,3)31-21(28)25-17(15-30-23(25,4)5)11-12-19(26)24-18(14-29-20(24)27)13-16-9-7-6-8-10-16;1-2/h6-10,17-18H,11-15H2,1-5H3;1-2H3/t17-,18-;/m0./s1
InChIKeyTUUUZRLJATWPPQ-APTPAJQOSA-N
MW462.59 g/mol
LogP4.75
Rot. Bonds5

About 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

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 (PubChem CID 142046249) has the molecular formula C25H38N2O6 and a molecular weight of 462.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID142046249
Molecular FormulaC25H38N2O6
Molecular Weight462.59 g/mol
Exact Mass462.27
IUPAC Nametert-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
SMILESCC.CC(C)(C)OC(=O)N1[C@@H](CCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)COC1(C)C
InChIInChI=1S/C23H32N2O6.C2H6/c1-22(2,3)31-21(28)25-17(15-30-23(25,4)5)11-12-19(26)24-18(14-29-20(24)27)13-16-9-7-6-8-10-16;1-2/h6-10,17-18H,11-15H2,1-5H3;1-2H3/t17-,18-;/m0./s1
InChIKeyTUUUZRLJATWPPQ-APTPAJQOSA-N
XLogP4.75
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC(C)(C)OC(=O)N1[C@@H](CCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)COC1(C)C.
What is the InChIKey of 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?
The InChIKey is TUUUZRLJATWPPQ-APTPAJQOSA-N. The full InChI is InChI=1S/C23H32N2O6.C2H6/c1-22(2,3)31-21(28)25-17(15-30-23(25,4)5)11-12-19(26)24-18(14-29-20(24)27)13-16-9-7-6-8-10-16;1-2/h6-10,17-18H,11-15H2,1-5H3;1-2H3/t17-,18-;/m0./s1.
What are the key properties of 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?
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 has a molecular weight of 462.59 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142046249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).