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

C13H13Cl2N3O2 — CID 107917772

IUPAC3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2nc(-c3cc(Cl)cc(Cl)c3)no2)CNC1
InChIInChI=1S/C13H13Cl2N3O2/c1-13(6-16-7-13)19-5-11-17-12(18-20-11)8-2-9(14)4-10(15)3-8/h2-4,16H,5-7H2,1H3
InChIKeyUVSUNGPSZHPGTA-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.92
Rot. Bonds4

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

3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 107917772) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID107917772
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCC1(OCc2nc(-c3cc(Cl)cc(Cl)c3)no2)CNC1
InChIInChI=1S/C13H13Cl2N3O2/c1-13(6-16-7-13)19-5-11-17-12(18-20-11)8-2-9(14)4-10(15)3-8/h2-4,16H,5-7H2,1H3
InChIKeyUVSUNGPSZHPGTA-UHFFFAOYSA-N
XLogP2.92
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655372
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
CID 102655585
3-(3,5-dimethyl-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655604
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 102655457
3-(5-fluoro-2-methylphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655430
3-(2-methoxyphenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655382
3-(3-bromo-2-pyridinyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655610
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
1-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 104880712
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(2-nitrophenyl)-1,2,4-oxadiazole
CID 102655424
3-butyl-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655530

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 107917772) is 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CC1(OCc2nc(-c3cc(Cl)cc(Cl)c3)no2)CNC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is UVSUNGPSZHPGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-13(6-16-7-13)19-5-11-17-12(18-20-11)8-2-9(14)4-10(15)3-8/h2-4,16H,5-7H2,1H3.
What are the key properties of 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 314.17 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 107917772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).