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

C9H5Cl3N2O — CID 112571960

IUPAC3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1noc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H5Cl3N2O/c10-6-2-1-5(3-7(6)11)4-8-13-9(12)14-15-8/h1-3H,4H2
InChIKeyDRFNSJFOLSBXKA-UHFFFAOYSA-N
MW263.51 g/mol
LogP3.62
Rot. Bonds2

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

3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 112571960) has the molecular formula C9H5Cl3N2O and a molecular weight of 263.51 g/mol. Its IUPAC name is 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID112571960
Molecular FormulaC9H5Cl3N2O
Molecular Weight263.51 g/mol
Exact Mass261.95
IUPAC Name3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1noc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H5Cl3N2O/c10-6-2-1-5(3-7(6)11)4-8-13-9(12)14-15-8/h1-3H,4H2
InChIKeyDRFNSJFOLSBXKA-UHFFFAOYSA-N
XLogP3.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63045291
1-[5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 63047196
3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole
CID 112571906
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349736
1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671857
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349735
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474355
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 63345293
2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55105697
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349821
1-amino-3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (CID 112571960) is 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is Clc1noc(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is DRFNSJFOLSBXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O/c10-6-2-1-5(3-7(6)11)4-8-13-9(12)14-15-8/h1-3H,4H2.
What are the key properties of 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 263.51 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112571960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).