3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole

C17H11ClN4O — CID 42585238

IUPAC3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1
InChIInChI=1S/C17H11ClN4O/c18-13-8-4-7-12(9-13)16-19-17(23-22-16)15-10-14(20-21-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyAMRCJUANAKKLDT-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.45
Rot. Bonds3

About 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 42585238) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID42585238
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1
InChIInChI=1S/C17H11ClN4O/c18-13-8-4-7-12(9-13)16-19-17(23-22-16)15-10-14(20-21-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyAMRCJUANAKKLDT-UHFFFAOYSA-N
XLogP4.45
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53022151
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64527311
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 25264646
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(2,4-dichlorophenyl)-5-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 19330341
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 20941123
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 16956456
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 42585238) is 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is Clc1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is AMRCJUANAKKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-13-8-4-7-12(9-13)16-19-17(23-22-16)15-10-14(20-21-15)11-5-2-1-3-6-11/h1-10H,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 322.76 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 42585238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).