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

C14H15Cl2N3O2 — CID 102655427

IUPAC3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2nc(Cc3ccc(Cl)c(Cl)c3)no2)CNC1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(7-17-8-14)20-6-13-18-12(19-21-13)5-9-2-3-10(15)11(16)4-9/h2-4,17H,5-8H2,1H3
InChIKeyDOHDSDUMHPITLZ-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.85
Rot. Bonds5

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

3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 102655427) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID102655427
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2nc(Cc3ccc(Cl)c(Cl)c3)no2)CNC1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(7-17-8-14)20-6-13-18-12(19-21-13)5-9-2-3-10(15)11(16)4-9/h2-4,17H,5-8H2,1H3
InChIKeyDOHDSDUMHPITLZ-UHFFFAOYSA-N
XLogP2.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[[5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102655351
3-[(2-chloro-4-fluorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655449
3-[(2-methoxyphenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655400
3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655530
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 107917772
3-(ethylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655473
3-(tert-butylsulfanylmethyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655477
1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671857
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474355
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349821
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349736

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 102655427) is 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CC1(OCc2nc(Cc3ccc(Cl)c(Cl)c3)no2)CNC1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is DOHDSDUMHPITLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-14(7-17-8-14)20-6-13-18-12(19-21-13)5-9-2-3-10(15)11(16)4-9/h2-4,17H,5-8H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 328.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102655427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).