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

C11H12N2O3 — CID 136712503

IUPAC2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(CCO)no2)c(O)c1
InChIInChI=1S/C11H12N2O3/c1-7-2-3-8(9(15)6-7)11-12-10(4-5-14)13-16-11/h2-3,6,14-15H,4-5H2,1H3
InChIKeyJFJIZJWZPBJOII-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.29
Rot. Bonds3

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

2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol (PubChem CID 136712503) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
PubChem CID136712503
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(CCO)no2)c(O)c1
InChIInChI=1S/C11H12N2O3/c1-7-2-3-8(9(15)6-7)11-12-10(4-5-14)13-16-11/h2-3,6,14-15H,4-5H2,1H3
InChIKeyJFJIZJWZPBJOII-UHFFFAOYSA-N
XLogP1.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001702
5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706952
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904172
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336
2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827116
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337907
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115079288

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
The IUPAC name of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol (CID 136712503) is 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol is Cc1ccc(-c2nc(CCO)no2)c(O)c1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
The InChIKey is JFJIZJWZPBJOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-2-3-8(9(15)6-7)11-12-10(4-5-14)13-16-11/h2-3,6,14-15H,4-5H2,1H3.
What are the key properties of 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol has a molecular weight of 220.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol is sourced from PubChem (CID 136712503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).