5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C18H13ClN4O — CID 53022151

IUPAC5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)c1
InChIInChI=1S/C18H13ClN4O/c1-11-4-2-6-13(8-11)17-20-18(24-23-17)16-10-15(21-22-16)12-5-3-7-14(19)9-12/h2-10H,1H3,(H,21,22)
InChIKeyDBCWSXFXBOVGMV-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.76
Rot. Bonds3

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

5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 53022151) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID53022151
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)c1
InChIInChI=1S/C18H13ClN4O/c1-11-4-2-6-13(8-11)17-20-18(24-23-17)16-10-15(21-22-16)12-5-3-7-14(19)9-12/h2-10H,1H3,(H,21,22)
InChIKeyDBCWSXFXBOVGMV-UHFFFAOYSA-N
XLogP4.76
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 42585238
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64527311
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 42585031
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 58559390
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 94069176
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 19330341
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 53022151) is 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)c1.
What is the InChIKey of 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is DBCWSXFXBOVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-11-4-2-6-13(8-11)17-20-18(24-23-17)16-10-15(21-22-16)12-5-3-7-14(19)9-12/h2-10H,1H3,(H,21,22).
What are the key properties of 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 336.78 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53022151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).