(1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol

C9H18N2O2 — CID 10081136

IUPAC(1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC(C)(C)NC[C@H](O)C1CC=NO1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-6-7(12)8-4-5-11-13-8/h5,7-8,10,12H,4,6H2,1-3H3/t7-,8?/m0/s1
InChIKeyZKFPUXIOTDWDAE-JAMMHHFISA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol

(1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol (PubChem CID 10081136) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol
PubChem CID10081136
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC(C)(C)NC[C@H](O)C1CC=NO1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-6-7(12)8-4-5-11-13-8/h5,7-8,10,12H,4,6H2,1-3H3/t7-,8?/m0/s1
InChIKeyZKFPUXIOTDWDAE-JAMMHHFISA-N
XLogP0.51
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol (CID 10081136) is (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol is CC(C)(C)NC[C@H](O)C1CC=NO1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The InChIKey is ZKFPUXIOTDWDAE-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)10-6-7(12)8-4-5-11-13-8/h5,7-8,10,12H,4,6H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol?
(1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol has a molecular weight of 186.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-(4,5-dihydro-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 10081136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).