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

C15H20N2O3 — CID 136751308

IUPAC4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCOC(C)(CC)c1noc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C15H20N2O3/c1-5-15(4,19-6-2)14-16-13(20-17-14)11-7-8-12(18)10(3)9-11/h7-9,18H,5-6H2,1-4H3
InChIKeyHDISDWPJIMBXOJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.41
Rot. Bonds5

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

4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 136751308) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID136751308
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCOC(C)(CC)c1noc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C15H20N2O3/c1-5-15(4,19-6-2)14-16-13(20-17-14)11-7-8-12(18)10(3)9-11/h7-9,18H,5-6H2,1-4H3
InChIKeyHDISDWPJIMBXOJ-UHFFFAOYSA-N
XLogP3.41
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 136751308) is 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is CCOC(C)(CC)c1noc(-c2ccc(O)c(C)c2)n1.
What is the InChIKey of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is HDISDWPJIMBXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-15(4,19-6-2)14-16-13(20-17-14)11-7-8-12(18)10(3)9-11/h7-9,18H,5-6H2,1-4H3.
What are the key properties of 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 276.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 136751308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).