3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole

C12H14N2O2 — CID 13237457

IUPAC3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1cc(C)c(-c2noc(C)n2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-7-5-10(15-4)6-8(2)11(7)12-13-9(3)16-14-12/h5-6H,1-4H3
InChIKeyUIQDSNDAESZWRY-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.67
Rot. Bonds2

About 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole

3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 13237457) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID13237457
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1cc(C)c(-c2noc(C)n2)c(C)c1
InChIInChI=1S/C12H14N2O2/c1-7-5-10(15-4)6-8(2)11(7)12-13-9(3)16-14-12/h5-6H,1-4H3
InChIKeyUIQDSNDAESZWRY-UHFFFAOYSA-N
XLogP2.67
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole (CID 13237457) is 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole is COc1cc(C)c(-c2noc(C)n2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is UIQDSNDAESZWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-5-10(15-4)6-8(2)11(7)12-13-9(3)16-14-12/h5-6H,1-4H3.
What are the key properties of 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole?
3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 13237457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).