3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C15H10Cl2N2O2 — CID 11290188

IUPAC3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1
InChIInChI=1S/C15H10Cl2N2O2/c1-20-11-5-2-9(3-6-11)15-18-14(19-21-15)12-7-4-10(16)8-13(12)17/h2-8H,1H3
InChIKeyLMLLOHKSAKQTAG-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.72
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole

3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 11290188) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID11290188
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1
InChIInChI=1S/C15H10Cl2N2O2/c1-20-11-5-2-9(3-6-11)15-18-14(19-21-15)12-7-4-10(16)8-13(12)17/h2-8H,1H3
InChIKeyLMLLOHKSAKQTAG-UHFFFAOYSA-N
XLogP4.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 19330341
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 19326650
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-(2,4-dichlorophenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CID 19326503
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 100559235

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 11290188) is 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LMLLOHKSAKQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-20-11-5-2-9(3-6-11)15-18-14(19-21-15)12-7-4-10(16)8-13(12)17/h2-8H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 321.16 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 11290188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).