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

C17H11ClN4O — CID 2805338

IUPAC3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)cc1
InChIInChI=1S/C17H11ClN4O/c18-13-8-6-12(7-9-13)16-20-17(23-22-16)14-10-19-21-15(14)11-4-2-1-3-5-11/h1-10H,(H,19,21)
InChIKeyAOAQSUXMHOBCDJ-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.45
Rot. Bonds3

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

3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 2805338) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID2805338
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)cc1
InChIInChI=1S/C17H11ClN4O/c18-13-8-6-12(7-9-13)16-20-17(23-22-16)14-10-19-21-15(14)11-4-2-1-3-5-11/h1-10H,(H,19,21)
InChIKeyAOAQSUXMHOBCDJ-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-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
CID 1477460
5-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1477461
5-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 1477462
5-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1477463
3-(4-Chlorophenyl)-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 2807982
3-(2,5-Difluorophenyl)-5-[1-(2-methylpropyl)-5-phenylpyrazol-4-yl]-1,2,4-oxadiazole
CID 49835633
N-cyclopropyl-1-(3-{[(2,4-dimethylphenyl)sulfonyl]amino}benzoyl)piperidine-3-carboxamide
CID 53138356
5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 53138378
5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 53138390
5-(3,5-Difluorophenyl)-3-[3-(1H-pyrazol-5-YL)phenyl]-1,2,4-oxadiazole
CID 53138391
5-(2,5-Difluorophenyl)-3-[3-(1H-pyrazol-5-YL)phenyl]-1,2,4-oxadiazole
CID 53138393
5-(3-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 53138412

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole (CID 2805338) is 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is AOAQSUXMHOBCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-13-8-6-12(7-9-13)16-20-17(23-22-16)14-10-19-21-15(14)11-4-2-1-3-5-11/h1-10H,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-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-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).