tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate

C11H18N2O4 — CID 67334681

IUPACtert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(CO)on1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O4/c1-11(2,3)16-10(15)13(4)6-8-5-9(7-14)17-12-8/h5,14H,6-7H2,1-4H3
InChIKeyZFDCFKKBAKBWMR-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate (PubChem CID 67334681) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate
PubChem CID67334681
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nametert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate
SMILESCN(Cc1cc(CO)on1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O4/c1-11(2,3)16-10(15)13(4)6-8-5-9(7-14)17-12-8/h5,14H,6-7H2,1-4H3
InChIKeyZFDCFKKBAKBWMR-UHFFFAOYSA-N
XLogP1.53
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate (CID 67334681) is tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate is CN(Cc1cc(CO)on1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate?
The InChIKey is ZFDCFKKBAKBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2,3)16-10(15)13(4)6-8-5-9(7-14)17-12-8/h5,14H,6-7H2,1-4H3.
What are the key properties of tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate has a molecular weight of 242.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 67334681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).