3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole

C11H12N2O2 — CID 64764360

IUPAC3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
SMILESCc1cccc(OCc2nonc2C)c1
InChIInChI=1S/C11H12N2O2/c1-8-4-3-5-10(6-8)14-7-11-9(2)12-15-13-11/h3-6H,7H2,1-2H3
InChIKeyPPPZENMVIQRKHJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.27
Rot. Bonds3

About 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole

3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole (PubChem CID 64764360) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
PubChem CID64764360
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
SMILESCc1cccc(OCc2nonc2C)c1
InChIInChI=1S/C11H12N2O2/c1-8-4-3-5-10(6-8)14-7-11-9(2)12-15-13-11/h3-6H,7H2,1-2H3
InChIKeyPPPZENMVIQRKHJ-UHFFFAOYSA-N
XLogP2.27
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole 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

3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765480
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765671
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole (CID 64764360) is 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole is Cc1cccc(OCc2nonc2C)c1.
What is the InChIKey of 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole?
The InChIKey is PPPZENMVIQRKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-4-3-5-10(6-8)14-7-11-9(2)12-15-13-11/h3-6H,7H2,1-2H3.
What are the key properties of 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole?
3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 64764360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).