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

C12H14N2O2 — CID 64765671

IUPAC3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCCc1ccccc1OCc1nonc1C
InChIInChI=1S/C12H14N2O2/c1-3-10-6-4-5-7-12(10)15-8-11-9(2)13-16-14-11/h4-7H,3,8H2,1-2H3
InChIKeyCNWOLUMAYSGGJW-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.52
Rot. Bonds4

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

3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 64765671) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID64765671
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCCc1ccccc1OCc1nonc1C
InChIInChI=1S/C12H14N2O2/c1-3-10-6-4-5-7-12(10)15-8-11-9(2)13-16-14-11/h4-7H,3,8H2,1-2H3
InChIKeyCNWOLUMAYSGGJW-UHFFFAOYSA-N
XLogP2.52
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethylphenoxy)methyl]-4-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

5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765480
3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64854334
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
3-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoic acid
CID 107673641
3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
CID 64764360
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608818
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
[2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190907

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole (CID 64765671) is 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole is CCc1ccccc1OCc1nonc1C.
What is the InChIKey of 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is CNWOLUMAYSGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-10-6-4-5-7-12(10)15-8-11-9(2)13-16-14-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 64765671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).