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

C8H15NO2 — CID 10997298

IUPAC[(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC(C)(C)C1=NO[C@@H](CO)C1
InChIInChI=1S/C8H15NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h6,10H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyQKZPPUZEXMEYMU-ZCFIWIBFSA-N
MW157.21 g/mol
LogP1.17
Rot. Bonds1

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

[(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 10997298) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID10997298
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESCC(C)(C)C1=NO[C@@H](CO)C1
InChIInChI=1S/C8H15NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h6,10H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyQKZPPUZEXMEYMU-ZCFIWIBFSA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-YL)methanol
CID 13801521
3-Tert-butyl-5-hydroxymethyl-5-methylisoxazoline
CID 10997486
[(5R)-3-ethyl-5-methyl-4H-1,2-oxazol-5-yl]methanol
CID 122400074
(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol
CID 146018742
(5-tert-Butyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
CID 13722788
[(5S)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 13801522
(3-Ethyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
CID 14143956
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 44141775
[(5S)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 44141776
(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol
CID 58735358
[3-(2-Methylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 58871535
3-Hydroxy-2,2-dimethylcyclopentanone oxime
CID 86707700

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 10997298) is [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is CC(C)(C)C1=NO[C@@H](CO)C1.
What is the InChIKey of [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is QKZPPUZEXMEYMU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h6,10H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 10997298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).