tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate

C25H32N2O4 — CID 141155510

IUPACtert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCC(=O)N1COC[C@@H]1Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N2O4/c1-25(2,3)31-24(29)26(17-21-12-8-5-9-13-21)15-14-23(28)27-19-30-18-22(27)16-20-10-6-4-7-11-20/h4-13,22H,14-19H2,1-3H3/t22-/m0/s1
InChIKeyQCDVKRNDMJVVNF-QFIPXVFZSA-N
MW424.54 g/mol
LogP4.24
Rot. Bonds7

About tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate

tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate (PubChem CID 141155510) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
PubChem CID141155510
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Nametert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCC(=O)N1COC[C@@H]1Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N2O4/c1-25(2,3)31-24(29)26(17-21-12-8-5-9-13-21)15-14-23(28)27-19-30-18-22(27)16-20-10-6-4-7-11-20/h4-13,22H,14-19H2,1-3H3/t22-/m0/s1
InChIKeyQCDVKRNDMJVVNF-QFIPXVFZSA-N
XLogP4.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
CID 140978325
tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
CID 165471508
tert-butyl N-benzyl-N-(4-methyl-3-oxopent-4-enyl)carbamate
CID 165471507
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 151312894
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
benzyl N-benzyl-N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 141155512
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
tert-butyl N-benzyl-N-(3-oxohept-5-ynyl)carbamate
CID 165465580
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate (CID 141155510) is tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate is CC(C)(C)OC(=O)N(CCC(=O)N1COC[C@@H]1Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
The InChIKey is QCDVKRNDMJVVNF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-25(2,3)31-24(29)26(17-21-12-8-5-9-13-21)15-14-23(28)27-19-30-18-22(27)16-20-10-6-4-7-11-20/h4-13,22H,14-19H2,1-3H3/t22-/m0/s1.
What are the key properties of tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate?
tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate has a molecular weight of 424.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 141155510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).