2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole

C23H20N6O — CID 31053397

IUPAC2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccccc2-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)o1
InChIInChI=1S/C23H20N6O/c1-16-25-26-23(30-16)21-9-4-3-8-20(21)17-6-5-7-18(12-17)22-10-11-29(27-22)14-19-13-24-15-28(19)2/h3-13,15H,14H2,1-2H3
InChIKeyOZQORYRXUNZQIN-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.36
Rot. Bonds5

About 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole

2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 31053397) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole
PubChem CID31053397
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccccc2-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)o1
InChIInChI=1S/C23H20N6O/c1-16-25-26-23(30-16)21-9-4-3-8-20(21)17-6-5-7-18(12-17)22-10-11-29(27-22)14-19-13-24-15-28(19)2/h3-13,15H,14H2,1-2H3
InChIKeyOZQORYRXUNZQIN-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole (CID 31053397) is 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole is Cc1nnc(-c2ccccc2-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)o1.
What is the InChIKey of 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is OZQORYRXUNZQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-16-25-26-23(30-16)21-9-4-3-8-20(21)17-6-5-7-18(12-17)22-10-11-29(27-22)14-19-13-24-15-28(19)2/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole?
2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 396.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 31053397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).