3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole

C21H15N5O — CID 157444947

IUPAC3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc2nc(-c3noc(-c4ccc(-n5cccn5)cc4)n3)ccc2c1
InChIInChI=1S/C21H15N5O/c1-14-3-9-18-16(13-14)6-10-19(23-18)20-24-21(27-25-20)15-4-7-17(8-5-15)26-12-2-11-22-26/h2-13H,1H3
InChIKeyFCIICICIEFSVCS-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.45
Rot. Bonds3

About 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole

3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 157444947) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID157444947
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc2nc(-c3noc(-c4ccc(-n5cccn5)cc4)n3)ccc2c1
InChIInChI=1S/C21H15N5O/c1-14-3-9-18-16(13-14)6-10-19(23-18)20-24-21(27-25-20)15-4-7-17(8-5-15)26-12-2-11-22-26/h2-13H,1H3
InChIKeyFCIICICIEFSVCS-UHFFFAOYSA-N
XLogP4.45
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole (CID 157444947) is 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole is Cc1ccc2nc(-c3noc(-c4ccc(-n5cccn5)cc4)n3)ccc2c1.
What is the InChIKey of 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is FCIICICIEFSVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O/c1-14-3-9-18-16(13-14)6-10-19(23-18)20-24-21(27-25-20)15-4-7-17(8-5-15)26-12-2-11-22-26/h2-13H,1H3.
What are the key properties of 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole?
3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 353.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylquinolin-2-yl)-5-(4-pyrazol-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 157444947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).