2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

C11H12N2O2 — CID 135449004

IUPAC2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCc1nc(-c2cc(C)c(O)c(C)c2)no1
InChIInChI=1S/C11H12N2O2/c1-6-4-9(5-7(2)10(6)14)11-12-8(3)15-13-11/h4-5,14H,1-3H3
InChIKeyFKDWQPYZZBBCSF-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.37
Rot. Bonds1

About 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135449004) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135449004
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCc1nc(-c2cc(C)c(O)c(C)c2)no1
InChIInChI=1S/C11H12N2O2/c1-6-4-9(5-7(2)10(6)14)11-12-8(3)15-13-11/h4-5,14H,1-3H3
InChIKeyFKDWQPYZZBBCSF-UHFFFAOYSA-N
XLogP2.37
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-3,5-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 86697340
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzene-1,2-diol
CID 136993816
2,6-dimethyl-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136746254
3-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 136770721
4-[5-(4-aminooxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenol
CID 137011204
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683
(5S)-5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 136854657
5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136770720
3-hydroxy-4-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 136770725
6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carbonitrile
CID 171091306
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (CID 135449004) is 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol is Cc1nc(-c2cc(C)c(O)c(C)c2)no1.
What is the InChIKey of 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is FKDWQPYZZBBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-4-9(5-7(2)10(6)14)11-12-8(3)15-13-11/h4-5,14H,1-3H3.
What are the key properties of 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 204.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135449004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).