5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

C12H14N2O3 — CID 79605219

IUPAC5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOC(C)c1noc(-c2ccc(C)c(O)c2)n1
InChIInChI=1S/C12H14N2O3/c1-7-4-5-9(6-10(7)15)12-13-11(14-17-12)8(2)16-3/h4-6,8,15H,1-3H3
InChIKeyORMLGHABTGKWTR-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.46
Rot. Bonds3

About 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 79605219) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID79605219
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOC(C)c1noc(-c2ccc(C)c(O)c2)n1
InChIInChI=1S/C12H14N2O3/c1-7-4-5-9(6-10(7)15)12-13-11(14-17-12)8(2)16-3/h4-6,8,15H,1-3H3
InChIKeyORMLGHABTGKWTR-UHFFFAOYSA-N
XLogP2.46
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 79605219) is 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is COC(C)c1noc(-c2ccc(C)c(O)c2)n1.
What is the InChIKey of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is ORMLGHABTGKWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-4-5-9(6-10(7)15)12-13-11(14-17-12)8(2)16-3/h4-6,8,15H,1-3H3.
What are the key properties of 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 234.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 79605219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).