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

C7H13NO2 — CID 143127573

IUPAC1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol
SMILESCC1=COC(C(C)O)N1C
InChIInChI=1S/C7H13NO2/c1-5-4-10-7(6(2)9)8(5)3/h4,6-7,9H,1-3H3
InChIKeyVXOMWPICFKQOBW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.52
Rot. Bonds1

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

1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol (PubChem CID 143127573) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol
PubChem CID143127573
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol
SMILESCC1=COC(C(C)O)N1C
InChIInChI=1S/C7H13NO2/c1-5-4-10-7(6(2)9)8(5)3/h4,6-7,9H,1-3H3
InChIKeyVXOMWPICFKQOBW-UHFFFAOYSA-N
XLogP0.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol?
The IUPAC name of 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol (CID 143127573) is 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol is CC1=COC(C(C)O)N1C.
What is the InChIKey of 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol?
The InChIKey is VXOMWPICFKQOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-4-10-7(6(2)9)8(5)3/h4,6-7,9H,1-3H3.
What are the key properties of 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol?
1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol has a molecular weight of 143.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-2H-1,3-oxazol-2-yl)ethanol is sourced from PubChem (CID 143127573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).