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

C13H15NO2 — CID 54757750

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol
SMILESCc1noc(C)c1-c1cccc(C(C)O)c1
InChIInChI=1S/C13H15NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7,9,15H,1-3H3
InChIKeyFXWIWZBTSLATJR-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.01
Rot. Bonds2

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

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol (PubChem CID 54757750) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol
PubChem CID54757750
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol
SMILESCc1noc(C)c1-c1cccc(C(C)O)c1
InChIInChI=1S/C13H15NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7,9,15H,1-3H3
InChIKeyFXWIWZBTSLATJR-UHFFFAOYSA-N
XLogP3.01
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol (CID 54757750) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol is Cc1noc(C)c1-c1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol?
The InChIKey is FXWIWZBTSLATJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-13(10(3)16-14-8)12-6-4-5-11(7-12)9(2)15/h4-7,9,15H,1-3H3.
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol has a molecular weight of 217.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethanol is sourced from PubChem (CID 54757750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).