5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

C14H11Cl3N4O — CID 19326681

IUPAC5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1nn(C(C)c2nc(-c3ccc(Cl)cc3Cl)no2)cc1Cl
InChIInChI=1S/C14H11Cl3N4O/c1-7-12(17)6-21(19-7)8(2)14-18-13(20-22-14)10-4-3-9(15)5-11(10)16/h3-6,8H,1-2H3
InChIKeyUTYRHAXUFFAJCZ-UHFFFAOYSA-N
MW357.63 g/mol
LogP4.81
Rot. Bonds3

About 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 19326681) has the molecular formula C14H11Cl3N4O and a molecular weight of 357.63 g/mol. Its IUPAC name is 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID19326681
Molecular FormulaC14H11Cl3N4O
Molecular Weight357.63 g/mol
Exact Mass356.00
IUPAC Name5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESCc1nn(C(C)c2nc(-c3ccc(Cl)cc3Cl)no2)cc1Cl
InChIInChI=1S/C14H11Cl3N4O/c1-7-12(17)6-21(19-7)8(2)14-18-13(20-22-14)10-4-3-9(15)5-11(10)16/h3-6,8H,1-2H3
InChIKeyUTYRHAXUFFAJCZ-UHFFFAOYSA-N
XLogP4.81
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 19326529
5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332714
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326587
5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19330336
3-(5-chloro-2-methoxyphenyl)-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 19332623
5-[1-(4-chloropyrazol-1-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 72902534
3-(2,4-dichlorophenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 55443370
(1S,2S)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103832860
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 62945976
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 19326681) is 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Cc1nn(C(C)c2nc(-c3ccc(Cl)cc3Cl)no2)cc1Cl.
What is the InChIKey of 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is UTYRHAXUFFAJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N4O/c1-7-12(17)6-21(19-7)8(2)14-18-13(20-22-14)10-4-3-9(15)5-11(10)16/h3-6,8H,1-2H3.
What are the key properties of 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 357.63 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).