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

C21H14N4O — CID 20941125

IUPAC5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1
InChIInChI=1S/C21H14N4O/c1-2-7-15(8-3-1)20-22-21(26-25-20)19-13-18(23-24-19)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,23,24)
InChIKeyLIDULJDIENWPCG-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.95
Rot. Bonds3

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

5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 20941125) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID20941125
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1
InChIInChI=1S/C21H14N4O/c1-2-7-15(8-3-1)20-22-21(26-25-20)19-13-18(23-24-19)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,23,24)
InChIKeyLIDULJDIENWPCG-UHFFFAOYSA-N
XLogP4.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 16956456
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-(4-ethoxyphenyl)-5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 42585039
5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53022151
5-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 18591770
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile
CID 137015001
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine
CID 142094941
3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937

Frequently Asked Questions

What is the IUPAC name of 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole (CID 20941125) is 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1.
What is the InChIKey of 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is LIDULJDIENWPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c1-2-7-15(8-3-1)20-22-21(26-25-20)19-13-18(23-24-19)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,23,24).
What are the key properties of 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole?
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 338.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 20941125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).