3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole

C23H20N6O — CID 59504680

IUPAC3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(Cn2nc(-c3nc(-c4ccc(-n5ccnc5)cc4)no3)cc2C)cc1
InChIInChI=1S/C23H20N6O/c1-16-3-5-18(6-4-16)14-29-17(2)13-21(26-29)23-25-22(27-30-23)19-7-9-20(10-8-19)28-12-11-24-15-28/h3-13,15H,14H2,1-2H3
InChIKeyRGVVNUPCDGTFJF-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.45
Rot. Bonds5

About 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole

3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole (PubChem CID 59504680) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
PubChem CID59504680
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(Cn2nc(-c3nc(-c4ccc(-n5ccnc5)cc4)no3)cc2C)cc1
InChIInChI=1S/C23H20N6O/c1-16-3-5-18(6-4-16)14-29-17(2)13-21(26-29)23-25-22(27-30-23)19-7-9-20(10-8-19)28-12-11-24-15-28/h3-13,15H,14H2,1-2H3
InChIKeyRGVVNUPCDGTFJF-UHFFFAOYSA-N
XLogP4.45
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole (CID 59504680) is 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole is Cc1ccc(Cn2nc(-c3nc(-c4ccc(-n5ccnc5)cc4)no3)cc2C)cc1.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is RGVVNUPCDGTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-16-3-5-18(6-4-16)14-29-17(2)13-21(26-29)23-25-22(27-30-23)19-7-9-20(10-8-19)28-12-11-24-15-28/h3-13,15H,14H2,1-2H3.
What are the key properties of 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 396.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)-5-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59504680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).