tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate

C10H18N2O3 — CID 150711020

IUPACtert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C1=NCCO1
InChIInChI=1S/C10H18N2O3/c1-7(8-11-5-6-14-8)12-9(13)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyJNWPGENHZUSMOB-SSDOTTSWSA-N
MW214.26 g/mol
LogP1.33
Rot. Bonds2

About tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate (PubChem CID 150711020) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
PubChem CID150711020
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C1=NCCO1
InChIInChI=1S/C10H18N2O3/c1-7(8-11-5-6-14-8)12-9(13)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyJNWPGENHZUSMOB-SSDOTTSWSA-N
XLogP1.33
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dihydro-1,3-oxazol-2-yl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 91045649
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate
CID 4906017
tert-butyl N-[(1R)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)ethyl]carbamate
CID 118337824
tert-butyl N-[(1S)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)ethyl]carbamate
CID 129130083
tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 68670260
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-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate (CID 150711020) is tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C1=NCCO1.
What is the InChIKey of tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
The InChIKey is JNWPGENHZUSMOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(8-11-5-6-14-8)12-9(13)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,13)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 150711020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).