tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate

C10H18N2O5 — CID 67246826

IUPACtert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CON(CCO)C1=O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)11-7-6-16-12(4-5-13)8(7)14/h7,13H,4-6H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyOKIGJTFWANYCAK-SSDOTTSWSA-N
MW246.26 g/mol
LogP-0.35
Rot. Bonds3

About tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate

tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (PubChem CID 67246826) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
PubChem CID67246826
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Nametert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CON(CCO)C1=O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)11-7-6-16-12(4-5-13)8(7)14/h7,13H,4-6H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyOKIGJTFWANYCAK-SSDOTTSWSA-N
XLogP-0.35
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (CID 67246826) is tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CON(CCO)C1=O.
What is the InChIKey of tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The InChIKey is OKIGJTFWANYCAK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)11-7-6-16-12(4-5-13)8(7)14/h7,13H,4-6H2,1-3H3,(H,11,15)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate has a molecular weight of 246.26 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-2-(2-hydroxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is sourced from PubChem (CID 67246826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).