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

C20H14N4OS — CID 50789471

IUPAC3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3noc(-c4ccccc4)n3)cc12
InChIInChI=1S/C20H14N4OS/c1-13-16-12-17(18-21-19(25-23-18)14-8-4-2-5-9-14)26-20(16)24(22-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyGZGONSPXIVEMGW-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.11
Rot. Bonds3

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

3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 50789471) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID50789471
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2sc(-c3noc(-c4ccccc4)n3)cc12
InChIInChI=1S/C20H14N4OS/c1-13-16-12-17(18-21-19(25-23-18)14-8-4-2-5-9-14)26-20(16)24(22-13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyGZGONSPXIVEMGW-UHFFFAOYSA-N
XLogP5.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-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 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole (CID 50789471) is 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c2sc(-c3noc(-c4ccccc4)n3)cc12.
What is the InChIKey of 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is GZGONSPXIVEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-13-16-12-17(18-21-19(25-23-18)14-8-4-2-5-9-14)26-20(16)24(22-13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole?
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 358.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50789471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).