2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide

C20H13F2N3O2S — CID 24875972

About 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide

2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide (PubChem CID 24875972) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide
• PubChem CID: 24875972
• Molecular Formula: C20H13F2N3O2S
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.07
• IUPAC Name: 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide
• SMILES: Cc1cc(-c2ncco2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
• InChI: InChI=1S/C20H13F2N3O2S/c1-11-9-15(20-23-7-8-27-20)28-18(11)12-5-6-16(24-10-12)25-19(26)17-13(21)3-2-4-14(17)22/h2-10H,1H3,(H,24,25,26)
• InChIKey: BZFYYTDRBCWRBM-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 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide?

The IUPAC name of 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide (CID 24875972) is 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide is Cc1cc(-c2ncco2)sc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.

What is the InChIKey of 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide?

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

What are the key properties of 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide?

2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide 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 2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24875972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).