N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

C21H26N4O2S — CID 108809099

About N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108809099) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 108809099
• Molecular Formula: C21H26N4O2S
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.18
• IUPAC Name: N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CC(C)c1ccc(-c2cnc(CCC(=O)Nc3nc(CN(C)C)cs3)o2)cc1
• InChI: InChI=1S/C21H26N4O2S/c1-14(2)15-5-7-16(8-6-15)18-11-22-20(27-18)10-9-19(26)24-21-23-17(13-28-21)12-25(3)4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,23,24,26)
• InChIKey: OOVJKCFNLOUWAN-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108809099) is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)Nc3nc(CN(C)C)cs3)o2)cc1.

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

The InChIKey is OOVJKCFNLOUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-14(2)15-5-7-16(8-6-15)18-11-22-20(27-18)10-9-19(26)24-21-23-17(13-28-21)12-25(3)4/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,23,24,26).

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

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 398.53 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108809099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).