3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole

C23H18N4O — CID 46829741

IUPAC3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C
InChIInChI=1S/C23H18N4O/c1-14-5-3-4-6-19(14)20-9-7-17(11-15(20)2)23-25-22(27-28-23)16-8-10-21-18(12-16)13-24-26-21/h3-13H,1-2H3,(H,24,26)
InChIKeyZBRIGHQPOGLLIS-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.56
Rot. Bonds3

About 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole

3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole (PubChem CID 46829741) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
PubChem CID46829741
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccccc1-c1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C
InChIInChI=1S/C23H18N4O/c1-14-5-3-4-6-19(14)20-9-7-17(11-15(20)2)23-25-22(27-28-23)16-8-10-21-18(12-16)13-24-26-21/h3-13H,1-2H3,(H,24,26)
InChIKeyZBRIGHQPOGLLIS-UHFFFAOYSA-N
XLogP5.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole (CID 46829741) is 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole is Cc1ccccc1-c1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C.
What is the InChIKey of 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZBRIGHQPOGLLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-14-5-3-4-6-19(14)20-9-7-17(11-15(20)2)23-25-22(27-28-23)16-8-10-21-18(12-16)13-24-26-21/h3-13H,1-2H3,(H,24,26).
What are the key properties of 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole?
3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 366.42 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46829741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).