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

C20H16N4O3S — CID 55833467

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

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 55833467) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 55833467
• Molecular Formula: C20H16N4O3S
• Molecular Weight: 392.44 g/mol
• Exact Mass: 392.09
• IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1cc(CSc2ncccc2C(=O)Nc2cccc(-c3cnco3)c2)no1
• InChI: InChI=1S/C20H16N4O3S/c1-13-8-16(24-27-13)11-28-20-17(6-3-7-22-20)19(25)23-15-5-2-4-14(9-15)18-10-21-12-26-18/h2-10,12H,11H2,1H3,(H,23,25)
• InChIKey: WXTOWXLFMOKFNP-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 94.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.44
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide (CID 55833467) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2cccc(-c3cnco3)c2)no1.

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

The InChIKey is WXTOWXLFMOKFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-13-8-16(24-27-13)11-28-20-17(6-3-7-22-20)19(25)23-15-5-2-4-14(9-15)18-10-21-12-26-18/h2-10,12H,11H2,1H3,(H,23,25).

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

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55833467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).