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

C13H10Cl2N4O — CID 19326529

IUPAC3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)cc1-c1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C13H10Cl2N4O/c1-7-10(6-19(2)17-7)13-16-12(18-20-13)9-4-3-8(14)5-11(9)15/h3-6H,1-2H3
InChIKeyHAEJSSDXGAHCQX-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.75
Rot. Bonds2

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

3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 19326529) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID19326529
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)cc1-c1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C13H10Cl2N4O/c1-7-10(6-19(2)17-7)13-16-12(18-20-13)9-4-3-8(14)5-11(9)15/h3-6H,1-2H3
InChIKeyHAEJSSDXGAHCQX-UHFFFAOYSA-N
XLogP3.75
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326681
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326466
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326587
3-(2,4-dichlorophenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CID 19326503
5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 100559235
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole (CID 19326529) is 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole is Cc1nn(C)cc1-c1nc(-c2ccc(Cl)cc2Cl)no1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is HAEJSSDXGAHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-7-10(6-19(2)17-7)13-16-12(18-20-13)9-4-3-8(14)5-11(9)15/h3-6H,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 309.16 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).