5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C12H11Cl2N3O — CID 55204134

IUPAC5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nc(C2CCCN2)no1
InChIInChI=1S/C12H11Cl2N3O/c13-7-3-1-4-8(14)10(7)12-16-11(17-18-12)9-5-2-6-15-9/h1,3-4,9,15H,2,5-6H2
InChIKeyPMCHUPXFQWANPB-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.47
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 55204134) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID55204134
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nc(C2CCCN2)no1
InChIInChI=1S/C12H11Cl2N3O/c13-7-3-1-4-8(14)10(7)12-16-11(17-18-12)9-5-2-6-15-9/h1,3-4,9,15H,2,5-6H2
InChIKeyPMCHUPXFQWANPB-UHFFFAOYSA-N
XLogP3.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
3-(azepan-2-yl)-5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 103972200
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81461458
5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
3-pyrrolidin-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152589
3-(azetidin-2-yl)-5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazole
CID 90422132

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 55204134) is 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is Clc1cccc(Cl)c1-c1nc(C2CCCN2)no1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is PMCHUPXFQWANPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-7-3-1-4-8(14)10(7)12-16-11(17-18-12)9-5-2-6-15-9/h1,3-4,9,15H,2,5-6H2.
What are the key properties of 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 284.15 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55204134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).