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

C20H18N4O — CID 19324458

IUPAC5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2cccc(-c3nc(-c4ccccc4)no3)c2)n1
InChIInChI=1S/C20H18N4O/c1-14-11-15(2)24(22-14)13-16-7-6-10-18(12-16)20-21-19(23-25-20)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3
InChIKeyPBSTWSSXQWVTSP-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.27
Rot. Bonds4

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

5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324458) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324458
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2cccc(-c3nc(-c4ccccc4)no3)c2)n1
InChIInChI=1S/C20H18N4O/c1-14-11-15(2)24(22-14)13-16-7-6-10-18(12-16)20-21-19(23-25-20)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3
InChIKeyPBSTWSSXQWVTSP-UHFFFAOYSA-N
XLogP4.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole (CID 19324458) is 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole is Cc1cc(C)n(Cc2cccc(-c3nc(-c4ccccc4)no3)c2)n1.
What is the InChIKey of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is PBSTWSSXQWVTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-11-15(2)24(22-14)13-16-7-6-10-18(12-16)20-21-19(23-25-20)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3.
What are the key properties of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 330.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).