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

C16H12N4O2S2 — CID 78879882

IUPAC5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H12N4O2S2/c21-15(12-7-11(19-20-12)13-3-1-5-23-13)17-8-10-9-22-16(18-10)14-4-2-6-24-14/h1-7,9H,8H2,(H,17,21)(H,19,20)
InChIKeyBWLKEDUBGNCILY-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.78
Rot. Bonds5

About 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 78879882) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID78879882
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H12N4O2S2/c21-15(12-7-11(19-20-12)13-3-1-5-23-13)17-8-10-9-22-16(18-10)14-4-2-6-24-14/h1-7,9H,8H2,(H,17,21)(H,19,20)
InChIKeyBWLKEDUBGNCILY-UHFFFAOYSA-N
XLogP3.78
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-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 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 78879882) is 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1coc(-c2cccs2)n1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BWLKEDUBGNCILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c21-15(12-7-11(19-20-12)13-3-1-5-23-13)17-8-10-9-22-16(18-10)14-4-2-6-24-14/h1-7,9H,8H2,(H,17,21)(H,19,20).
What are the key properties of 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78879882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).