2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide

C22H25N3O3S — CID 33158106

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 33158106) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
• PubChem CID: 33158106
• Molecular Formula: C22H25N3O3S
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.16
• IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
• SMILES: Cc1cc(CSc2ncccc2C(=O)NCCc2ccc(OC(C)C)cc2)no1
• InChI: InChI=1S/C22H25N3O3S/c1-15(2)27-19-8-6-17(7-9-19)10-12-23-21(26)20-5-4-11-24-22(20)29-14-18-13-16(3)28-25-18/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,23,26)
• InChIKey: UJOMYIJQYZOXSX-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide (CID 33158106) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NCCc2ccc(OC(C)C)cc2)no1.

What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?

The InChIKey is UJOMYIJQYZOXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15(2)27-19-8-6-17(7-9-19)10-12-23-21(26)20-5-4-11-24-22(20)29-14-18-13-16(3)28-25-18/h4-9,11,13,15H,10,12,14H2,1-3H3,(H,23,26).

What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 33158106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).