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

C11H12N2O2 — CID 90939332

IUPAC[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1ccc(-c2nc(CO)no2)c(C)c1
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9(8(2)5-7)11-12-10(6-14)13-15-11/h3-5,14H,6H2,1-2H3
InChIKeyGCSITLMUMPDDST-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.85
Rot. Bonds2

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

[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 90939332) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID90939332
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1ccc(-c2nc(CO)no2)c(C)c1
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9(8(2)5-7)11-12-10(6-14)13-15-11/h3-5,14H,6H2,1-2H3
InChIKeyGCSITLMUMPDDST-UHFFFAOYSA-N
XLogP1.85
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 90939332) is [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol is Cc1ccc(-c2nc(CO)no2)c(C)c1.
What is the InChIKey of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is GCSITLMUMPDDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-3-4-9(8(2)5-7)11-12-10(6-14)13-15-11/h3-5,14H,6H2,1-2H3.
What are the key properties of [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 204.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 90939332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).