tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate

C17H24N2O5 — CID 10497086

IUPACtert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)[C@@H]1CC(=O)ON1Cc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)23-16(22)18-13(11-20)14-9-15(21)24-19(14)10-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyQTFCAJMJEXBESP-KBPBESRZSA-N
MW336.39 g/mol
LogP1.60
Rot. Bonds5

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

tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate (PubChem CID 10497086) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate
PubChem CID10497086
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nametert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)[C@@H]1CC(=O)ON1Cc1ccccc1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)23-16(22)18-13(11-20)14-9-15(21)24-19(14)10-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyQTFCAJMJEXBESP-KBPBESRZSA-N
XLogP1.60
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate with MolForge

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Related Compounds

Boc-Phe-Hyp-NHOH
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tert-butyl (4R)-4-[(3S,4R)-2-benzyl-4-methyl-5-oxo-1,2-oxazolidin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
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tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
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tert-butyl N-[(1R,2R)-1-[benzyl(hydroxy)amino]-3-hydroxy-1-phenylpropan-2-yl]carbamate
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tert-butyl N-[(3S,4R)-4-(hydroxymethyl)-2-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]carbamate
CID 102348557
(Z)-7-[(2R)-2-(benzylcarbamoyloxymethyl)-5-oxopyrrolidin-1-yl]hept-5-enoic acid
CID 10452042
1-(tert-butyl) 3-ethyl (3R,4S)-4-(((R)-1-phenylethyl)amino)pyrrolidine-1,3-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate (CID 10497086) is tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)[C@@H]1CC(=O)ON1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate?
The InChIKey is QTFCAJMJEXBESP-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,3)23-16(22)18-13(11-20)14-9-15(21)24-19(14)10-12-7-5-4-6-8-12/h4-8,13-14,20H,9-11H2,1-3H3,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(3S)-2-benzyl-5-oxo-1,2-oxazolidin-3-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 10497086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).