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

C12H14N2O2 — CID 63758819

IUPAC[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCc1cc(C)cc(Cc2noc(CO)n2)c1
InChIInChI=1S/C12H14N2O2/c1-8-3-9(2)5-10(4-8)6-11-13-12(7-15)16-14-11/h3-5,15H,6-7H2,1-2H3
InChIKeyUJKAARZTOHHPFO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.77
Rot. Bonds3

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

[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 63758819) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID63758819
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCc1cc(C)cc(Cc2noc(CO)n2)c1
InChIInChI=1S/C12H14N2O2/c1-8-3-9(2)5-10(4-8)6-11-13-12(7-15)16-14-11/h3-5,15H,6-7H2,1-2H3
InChIKeyUJKAARZTOHHPFO-UHFFFAOYSA-N
XLogP1.77
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63346153
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524442
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62596472
1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672446
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 18523550
1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352306
1-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 63352437
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63757779
1-amino-2-methyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 66001988
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539945
2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62817984
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154285

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol (CID 63758819) is [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol is Cc1cc(C)cc(Cc2noc(CO)n2)c1.
What is the InChIKey of [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is UJKAARZTOHHPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-9(2)5-10(4-8)6-11-13-12(7-15)16-14-11/h3-5,15H,6-7H2,1-2H3.
What are the key properties of [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 218.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 63758819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).