tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate

C11H18N2O4 — CID 130748149

IUPACtert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cc(CO)on1
InChIInChI=1S/C11H18N2O4/c1-7(9-5-8(6-14)17-13-9)12-10(15)16-11(2,3)4/h5,7,14H,6H2,1-4H3,(H,12,15)/t7-/m1/s1
InChIKeyYGNUYQIFIXNSTF-SSDOTTSWSA-N
MW242.27 g/mol
LogP1.75
Rot. Bonds3

About tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate (PubChem CID 130748149) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
PubChem CID130748149
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nametert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cc(CO)on1
InChIInChI=1S/C11H18N2O4/c1-7(9-5-8(6-14)17-13-9)12-10(15)16-11(2,3)4/h5,7,14H,6H2,1-4H3,(H,12,15)/t7-/m1/s1
InChIKeyYGNUYQIFIXNSTF-SSDOTTSWSA-N
XLogP1.75
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 86729792
ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
tert-butyl N-[1-[5-(bromomethyl)-1,2-oxazol-3-yl]-3-methylbutyl]carbamate
CID 20610322
tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 68670260
tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 58393122
tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
CID 130913963
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
CID 130495163
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
tert-butyl N-[(1S)-1-(6-bromo-2-pyridinyl)ethyl]carbamate
CID 177202082
tert-butyl N-[1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate
CID 4906017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate (CID 130748149) is tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1cc(CO)on1.
What is the InChIKey of tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate?
The InChIKey is YGNUYQIFIXNSTF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(9-5-8(6-14)17-13-9)12-10(15)16-11(2,3)4/h5,7,14H,6H2,1-4H3,(H,12,15)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate has a molecular weight of 242.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 130748149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).