N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C22H21N3O2S — CID 51312913

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 51312913) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• PubChem CID: 51312913
• Molecular Formula: C22H21N3O2S
• Molecular Weight: 391.50 g/mol
• Exact Mass: 391.14
• IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• SMILES: CC(c1nc2ccccc2s1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1
• InChI: InChI=1S/C22H21N3O2S/c1-15(22-24-17-10-6-7-11-19(17)28-22)25(2)21(26)13-12-20-23-14-18(27-20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
• InChIKey: WZBZXAUPOKJEIZ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 59.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 51312913) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

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

The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CC(c1nc2ccccc2s1)N(C)C(=O)CCc1ncc(-c2ccccc2)o1.

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

The InChIKey is WZBZXAUPOKJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15(22-24-17-10-6-7-11-19(17)28-22)25(2)21(26)13-12-20-23-14-18(27-20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3.

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

N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 391.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 51312913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).