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

C12H11Cl2N3O — CID 79316805

IUPAC5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(C3CNC3)n2)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c13-9-2-1-7(3-10(9)14)4-11-16-12(18-17-11)8-5-15-6-8/h1-3,8,15H,4-6H2
InChIKeyNUKNLAWTXPCKLM-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.65
Rot. Bonds3

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

5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 79316805) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID79316805
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(C3CNC3)n2)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c13-9-2-1-7(3-10(9)14)4-11-16-12(18-17-11)8-5-15-6-8/h1-3,8,15H,4-6H2
InChIKeyNUKNLAWTXPCKLM-UHFFFAOYSA-N
XLogP2.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 79316233
(3S,5R)-5-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812778
3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032178
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carbonitrile
CID 106524298
3-[(3-chlorophenyl)methyl]-5-[(3S,4S)-4-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 98538090
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644
5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 115080894
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689
3-[(3,4-dichlorophenyl)methyl]-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655427
5-cyclobutyl-3-(1H-indazol-6-ylmethyl)-1,2,4-oxadiazole
CID 155951249

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (CID 79316805) is 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is Clc1ccc(Cc2noc(C3CNC3)n2)cc1Cl.
What is the InChIKey of 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is NUKNLAWTXPCKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-9-2-1-7(3-10(9)14)4-11-16-12(18-17-11)8-5-15-6-8/h1-3,8,15H,4-6H2.
What are the key properties of 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 284.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 79316805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).