3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide

C20H14FN3O2S — CID 11494628

About 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide

3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (PubChem CID 11494628) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
• PubChem CID: 11494628
• Molecular Formula: C20H14FN3O2S
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.08
• IUPAC Name: 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)s1
• InChI: InChI=1S/C20H14FN3O2S/c1-12-2-3-13(20-23-8-9-26-20)10-15(12)17-4-5-18(27-17)24-19(25)14-6-7-22-11-16(14)21/h2-11H,1H3,(H,24,25)
• InChIKey: GROTYSUKSWXJJF-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?

The IUPAC name of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (CID 11494628) is 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2ccncc2F)s1.

What is the InChIKey of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?

The InChIKey is GROTYSUKSWXJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-2-3-13(20-23-8-9-26-20)10-15(12)17-4-5-18(27-17)24-19(25)14-6-7-22-11-16(14)21/h2-11H,1H3,(H,24,25).

What are the key properties of 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide?

3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11494628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).