1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

C12H14N2O2 — CID 102660575

IUPAC1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccc(-c2nc(C(C)O)no2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-10(8(2)6-7)12-13-11(9(3)15)14-16-12/h4-6,9,15H,1-3H3
InChIKeyNZYVCCILYBDYAK-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.41
Rot. Bonds2

About 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660575) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660575
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccc(-c2nc(C(C)O)no2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-10(8(2)6-7)12-13-11(9(3)15)14-16-12/h4-6,9,15H,1-3H3
InChIKeyNZYVCCILYBDYAK-UHFFFAOYSA-N
XLogP2.41
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
1-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660795
1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660664
1-[5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660638
1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660767
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
1-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096579

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660575) is 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is Cc1ccc(-c2nc(C(C)O)no2)c(C)c1.
What is the InChIKey of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is NZYVCCILYBDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-4-5-10(8(2)6-7)12-13-11(9(3)15)14-16-12/h4-6,9,15H,1-3H3.
What are the key properties of 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).