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

C20H13F2N3O2S — CID 58703397

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

3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (PubChem CID 58703397) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
• PubChem CID: 58703397
• Molecular Formula: C20H13F2N3O2S
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.07
• IUPAC Name: 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1
• InChI: InChI=1S/C20H13F2N3O2S/c1-11-2-3-12(16-6-7-24-27-16)8-13(11)17-4-5-18(28-17)25-20(26)19-14(21)9-23-10-15(19)22/h2-10H,1H3,(H,25,26)
• InChIKey: HRAQGMJKHZGRMY-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide (CID 58703397) is 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide.

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

The canonical SMILES for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2ccno2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1.

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

The InChIKey is HRAQGMJKHZGRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-2-3-12(16-6-7-24-27-16)8-13(11)17-4-5-18(28-17)25-20(26)19-14(21)9-23-10-15(19)22/h2-10H,1H3,(H,25,26).

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

3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 58703397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).