tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate

C24H30N2O6 — CID 10503346

IUPACtert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](COc1ccccc1)C[C@@H]1OC(=O)N[C@H]1COc1ccccc1
InChIInChI=1S/C24H30N2O6/c1-24(2,3)32-23(28)25-17(15-29-18-10-6-4-7-11-18)14-21-20(26-22(27)31-21)16-30-19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,28)(H,26,27)/t17-,20+,21+/m1/s1
InChIKeyFGTISGBZVCIIFP-QMMLZNLJSA-N
MW442.51 g/mol
LogP3.90
Rot. Bonds9

About tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate (PubChem CID 10503346) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate
PubChem CID10503346
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Nametert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](COc1ccccc1)C[C@@H]1OC(=O)N[C@H]1COc1ccccc1
InChIInChI=1S/C24H30N2O6/c1-24(2,3)32-23(28)25-17(15-29-18-10-6-4-7-11-18)14-21-20(26-22(27)31-21)16-30-19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,28)(H,26,27)/t17-,20+,21+/m1/s1
InChIKeyFGTISGBZVCIIFP-QMMLZNLJSA-N
XLogP3.90
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate (CID 10503346) is tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](COc1ccccc1)C[C@@H]1OC(=O)N[C@H]1COc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate?
The InChIKey is FGTISGBZVCIIFP-QMMLZNLJSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-24(2,3)32-23(28)25-17(15-29-18-10-6-4-7-11-18)14-21-20(26-22(27)31-21)16-30-19-12-8-5-9-13-19/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,28)(H,26,27)/t17-,20+,21+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate has a molecular weight of 442.51 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(4S,5S)-2-oxo-4-(phenoxymethyl)-1,3-oxazolidin-5-yl]-3-phenoxypropan-2-yl]carbamate is sourced from PubChem (CID 10503346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).