N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide

C22H18ClN3O2S — CID 16599674

About N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16599674) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 16599674
• Molecular Formula: C22H18ClN3O2S
• Molecular Weight: 423.93 g/mol
• Exact Mass: 423.08
• IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cc2ccccc2)s1
• InChI: InChI=1S/C22H18ClN3O2S/c23-17-8-6-16(7-9-17)19-14-24-21(28-19)11-10-20(27)26-22-25-13-18(29-22)12-15-4-2-1-3-5-15/h1-9,13-14H,10-12H2,(H,25,26,27)
• InChIKey: VWPVMICRELPQFW-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.93
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16599674) is N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cc2ccccc2)s1.

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

The InChIKey is VWPVMICRELPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c23-17-8-6-16(7-9-17)19-14-24-21(28-19)11-10-20(27)26-22-25-13-18(29-22)12-15-4-2-1-3-5-15/h1-9,13-14H,10-12H2,(H,25,26,27).

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

N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 423.93 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16599674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).