2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol

C8H15NO2 — CID 141086684

IUPAC2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol
SMILESCC1=COC(C)(C)N1CCO
InChIInChI=1S/C8H15NO2/c1-7-6-11-8(2,3)9(7)4-5-10/h6,10H,4-5H2,1-3H3
InChIKeyNPPOGBBSFWXRRH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.91
Rot. Bonds2

About 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol

2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol (PubChem CID 141086684) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol
PubChem CID141086684
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol
SMILESCC1=COC(C)(C)N1CCO
InChIInChI=1S/C8H15NO2/c1-7-6-11-8(2,3)9(7)4-5-10/h6,10H,4-5H2,1-3H3
InChIKeyNPPOGBBSFWXRRH-UHFFFAOYSA-N
XLogP0.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Hydroxyethyl(prop-1-en-2-yl)amino]ethanol
CID 45088074
3-Ethyl-2,2,4-trimethyl-1,3-oxazole
CID 59026711
2-(4,5-dimethyl-2H-1,3-oxazol-3-yl)ethanol
CID 117883967
3-(2,2,4-Trimethyl-1,3-oxazol-3-yl)propan-1-ol
CID 141086680
2-(2-ethyl-4-methyl-2H-1,3-oxazol-3-yl)ethanol
CID 141086681
2-[Methyl(prop-1-en-2-yl)amino]ethanol;hydrate
CID 143127607
1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol
CID 143127573

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol?
The IUPAC name of 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol (CID 141086684) is 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol.
What is the SMILES notation for 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol?
The canonical SMILES for 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol is CC1=COC(C)(C)N1CCO.
What is the InChIKey of 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol?
The InChIKey is NPPOGBBSFWXRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-6-11-8(2,3)9(7)4-5-10/h6,10H,4-5H2,1-3H3.
What are the key properties of 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol?
2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol has a molecular weight of 157.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethyl-1,3-oxazol-3-yl)ethanol is sourced from PubChem (CID 141086684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).