5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole

C20H23N3O2S — CID 110099284

About 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole

5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole (PubChem CID 110099284) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole
• PubChem CID: 110099284
• Molecular Formula: C20H23N3O2S
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.15
• IUPAC Name: 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole
• SMILES: COc1cccc(Cc2cnc(C3CCN(Cc4scnc4C)C3)o2)c1
• InChI: InChI=1S/C20H23N3O2S/c1-14-19(26-13-22-14)12-23-7-6-16(11-23)20-21-10-18(25-20)9-15-4-3-5-17(8-15)24-2/h3-5,8,10,13,16H,6-7,9,11-12H2,1-2H3
• InChIKey: WMTOMTRORHELOB-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 51.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole?

The IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole (CID 110099284) is 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole.

What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole?

The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole is COc1cccc(Cc2cnc(C3CCN(Cc4scnc4C)C3)o2)c1.

What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole?

The InChIKey is WMTOMTRORHELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-19(26-13-22-14)12-23-7-6-16(11-23)20-21-10-18(25-20)9-15-4-3-5-17(8-15)24-2/h3-5,8,10,13,16H,6-7,9,11-12H2,1-2H3.

What are the key properties of 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole?

5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 369.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-methoxyphenyl)methyl]-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 110099284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).