tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate

C25H30N2O5 — CID 53486929

IUPACtert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C25H30N2O5/c1-25(2,3)32-23(29)26(4)20-13-10-18(11-14-20)12-15-22(28)27-21(17-31-24(27)30)16-19-8-6-5-7-9-19/h5-11,13-14,21H,12,15-17H2,1-4H3/t21-/m1/s1
InChIKeyVEJAIZCDAGLZAG-OAQYLSRUSA-N
MW438.52 g/mol
LogP4.58
Rot. Bonds6

About tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate

tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate (PubChem CID 53486929) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate
PubChem CID53486929
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nametert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C25H30N2O5/c1-25(2,3)32-23(29)26(4)20-13-10-18(11-14-20)12-15-22(28)27-21(17-31-24(27)30)16-19-8-6-5-7-9-19/h5-11,13-14,21H,12,15-17H2,1-4H3/t21-/m1/s1
InChIKeyVEJAIZCDAGLZAG-OAQYLSRUSA-N
XLogP4.58
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate with MolForge

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Related Compounds

(4R)-4-benzyl-3-[3-(4-chlorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 69077529
tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 53486918
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 70251380
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
tert-butyl N-[3-[2-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-3-(3-bromopropyl)phenyl]propyl]carbamate
CID 102599818
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
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate (CID 53486929) is tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc(CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate?
The InChIKey is VEJAIZCDAGLZAG-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-25(2,3)32-23(29)26(4)20-13-10-18(11-14-20)12-15-22(28)27-21(17-31-24(27)30)16-19-8-6-5-7-9-19/h5-11,13-14,21H,12,15-17H2,1-4H3/t21-/m1/s1.
What are the key properties of tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate?
tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate has a molecular weight of 438.52 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 53486929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).