2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol

C7H11NO2 — CID 12762346

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol
SMILESCc1noc(C)c1CCO
InChIInChI=1S/C7H11NO2/c1-5-7(3-4-9)6(2)10-8-5/h9H,3-4H2,1-2H3
InChIKeyQVSACOUKYXVIGR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.83
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol

2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol (PubChem CID 12762346) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol
PubChem CID12762346
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol
SMILESCc1noc(C)c1CCO
InChIInChI=1S/C7H11NO2/c1-5-7(3-4-9)6(2)10-8-5/h9H,3-4H2,1-2H3
InChIKeyQVSACOUKYXVIGR-UHFFFAOYSA-N
XLogP0.83
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol (CID 12762346) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol is Cc1noc(C)c1CCO.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol?
The InChIKey is QVSACOUKYXVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-7(3-4-9)6(2)10-8-5/h9H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol?
2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol is sourced from PubChem (CID 12762346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).