3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide

C23H21N3O3S — CID 86889136

About 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 86889136) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide
• PubChem CID: 86889136
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide
• SMILES: COc1ccc(-c2cnc(CCC(=O)NC(c3ccccc3)c3nccs3)o2)cc1
• InChI: InChI=1S/C23H21N3O3S/c1-28-18-9-7-16(8-10-18)19-15-25-21(29-19)12-11-20(27)26-22(23-24-13-14-30-23)17-5-3-2-4-6-17/h2-10,13-15,22H,11-12H2,1H3,(H,26,27)
• InChIKey: HTSLNZPURMHUOA-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide?

The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide (CID 86889136) is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide.

What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide?

The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide is COc1ccc(-c2cnc(CCC(=O)NC(c3ccccc3)c3nccs3)o2)cc1.

What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide?

The InChIKey is HTSLNZPURMHUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-28-18-9-7-16(8-10-18)19-15-25-21(29-19)12-11-20(27)26-22(23-24-13-14-30-23)17-5-3-2-4-6-17/h2-10,13-15,22H,11-12H2,1H3,(H,26,27).

What are the key properties of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide?

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 419.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 86889136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).