3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

C15H19N3O3 — CID 102655400

IUPAC3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(COC2(C)CNC2)n1
InChIInChI=1S/C15H19N3O3/c1-15(9-16-10-15)20-8-14-17-13(18-21-14)7-11-5-3-4-6-12(11)19-2/h3-6,16H,7-10H2,1-2H3
InChIKeyXWQPMTCGLSTPCA-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.55
Rot. Bonds6

About 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 102655400) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID102655400
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1noc(COC2(C)CNC2)n1
InChIInChI=1S/C15H19N3O3/c1-15(9-16-10-15)20-8-14-17-13(18-21-14)7-11-5-3-4-6-12(11)19-2/h3-6,16H,7-10H2,1-2H3
InChIKeyXWQPMTCGLSTPCA-UHFFFAOYSA-N
XLogP1.55
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-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-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382
3-[(2-chloro-4-fluorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655449
4-[[5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102655351
3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655530
3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655427
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
3-(ethylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655473
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
3-(tert-butylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655477

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 102655400) is 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is COc1ccccc1Cc1noc(COC2(C)CNC2)n1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is XWQPMTCGLSTPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(9-16-10-15)20-8-14-17-13(18-21-14)7-11-5-3-4-6-12(11)19-2/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 289.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102655400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).