N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

C21H27Cl2N3O2S — CID 119526928

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (PubChem CID 119526928) has the molecular formula C21H27Cl2N3O2S and a molecular weight of 456.44 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
• PubChem CID: 119526928
• Molecular Formula: C21H27Cl2N3O2S
• Molecular Weight: 456.44 g/mol
• Exact Mass: 455.12
• IUPAC Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
• SMILES: Cc1oc(-c2cccs2)nc1CC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.Cl
• InChI: InChI=1S/C21H25N3O2S.2ClH/c1-13(2)15-6-8-16(9-7-15)17(22)12-23-20(25)11-18-14(3)26-21(24-18)19-5-4-10-27-19;;/h4-10,13,17H,11-12,22H2,1-3H3,(H,23,25);2*1H
• InChIKey: FADJTSIFWMWMSH-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 81.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.44
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?

The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (CID 119526928) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.

What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?

The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is Cc1oc(-c2cccs2)nc1CC(=O)NCC(N)c1ccc(C(C)C)cc1.Cl.Cl.

What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?

The InChIKey is FADJTSIFWMWMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S.2ClH/c1-13(2)15-6-8-16(9-7-15)17(22)12-23-20(25)11-18-14(3)26-21(24-18)19-5-4-10-27-19;;/h4-10,13,17H,11-12,22H2,1-3H3,(H,23,25);2*1H.

What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride has a molecular weight of 456.44 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119526928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).