3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

C18H12Cl2N4O2 — CID 19330341

IUPAC3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2cc(-c3nc(-c4ccc(Cl)cc4Cl)no3)[nH]n2)c1
InChIInChI=1S/C18H12Cl2N4O2/c1-25-12-4-2-3-10(7-12)15-9-16(23-22-15)18-21-17(24-26-18)13-6-5-11(19)8-14(13)20/h2-9H,1H3,(H,22,23)
InChIKeyTWTAXELJBHXMGF-UHFFFAOYSA-N
MW387.23 g/mol
LogP5.11
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 19330341) has the molecular formula C18H12Cl2N4O2 and a molecular weight of 387.23 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID19330341
Molecular FormulaC18H12Cl2N4O2
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2cc(-c3nc(-c4ccc(Cl)cc4Cl)no3)[nH]n2)c1
InChIInChI=1S/C18H12Cl2N4O2/c1-25-12-4-2-3-10(7-12)15-9-16(23-22-15)18-21-17(24-26-18)13-6-5-11(19)8-14(13)20/h2-9H,1H3,(H,22,23)
InChIKeyTWTAXELJBHXMGF-UHFFFAOYSA-N
XLogP5.11
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.23
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53022151
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 42585238
3-(2,4-dichlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 19326650
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole
CID 141127441
6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
CID 71694716
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 46091890
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 16956456
3-(2,3-dimethoxyphenyl)-5-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 53022147

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 19330341) is 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is COc1cccc(-c2cc(-c3nc(-c4ccc(Cl)cc4Cl)no3)[nH]n2)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is TWTAXELJBHXMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2/c1-25-12-4-2-3-10(7-12)15-9-16(23-22-15)18-21-17(24-26-18)13-6-5-11(19)8-14(13)20/h2-9H,1H3,(H,22,23).
What are the key properties of 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 387.23 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19330341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).