3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

C25H20N4O3S — CID 24575103

IUPAC3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C25H20N4O3S/c1-31-21-11-6-5-10-19(21)23-20(15-29(28-23)18-8-3-2-4-9-18)24(30)26-14-17-16-32-25(27-17)22-12-7-13-33-22/h2-13,15-16H,14H2,1H3,(H,26,30)
InChIKeyPLQQPJHHTDEPPJ-UHFFFAOYSA-N
MW456.53 g/mol
LogP5.19
Rot. Bonds7

About 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 24575103) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID24575103
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C25H20N4O3S/c1-31-21-11-6-5-10-19(21)23-20(15-29(28-23)18-8-3-2-4-9-18)24(30)26-14-17-16-32-25(27-17)22-12-7-13-33-22/h2-13,15-16H,14H2,1H3,(H,26,30)
InChIKeyPLQQPJHHTDEPPJ-UHFFFAOYSA-N
XLogP5.19
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide 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-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (CID 24575103) is 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is PLQQPJHHTDEPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-31-21-11-6-5-10-19(21)23-20(15-29(28-23)18-8-3-2-4-9-18)24(30)26-14-17-16-32-25(27-17)22-12-7-13-33-22/h2-13,15-16H,14H2,1H3,(H,26,30).
What are the key properties of 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-phenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24575103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).