2-(3-methyl-1,2-oxazol-5-yl)ethanol

C6H9NO2 — CID 52903771

IUPAC2-(3-methyl-1,2-oxazol-5-yl)ethanol
SMILESCc1cc(CCO)on1
InChIInChI=1S/C6H9NO2/c1-5-4-6(2-3-8)9-7-5/h4,8H,2-3H2,1H3
InChIKeyCSLLGOLBQFQBMJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.52
Rot. Bonds2

About 2-(3-methyl-1,2-oxazol-5-yl)ethanol

2-(3-methyl-1,2-oxazol-5-yl)ethanol (PubChem CID 52903771) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)ethanol
PubChem CID52903771
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)ethanol
SMILESCc1cc(CCO)on1
InChIInChI=1S/C6H9NO2/c1-5-4-6(2-3-8)9-7-5/h4,8H,2-3H2,1H3
InChIKeyCSLLGOLBQFQBMJ-UHFFFAOYSA-N
XLogP0.52
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)ethanol (CID 52903771) is 2-(3-methyl-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)ethanol is Cc1cc(CCO)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)ethanol?
The InChIKey is CSLLGOLBQFQBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-5-4-6(2-3-8)9-7-5/h4,8H,2-3H2,1H3.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)ethanol?
2-(3-methyl-1,2-oxazol-5-yl)ethanol has a molecular weight of 127.14 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 52903771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).