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

C24H31Cl2N3O2 — CID 119526054

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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (PubChem CID 119526054) has the molecular formula C24H31Cl2N3O2 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
• PubChem CID: 119526054
• Molecular Formula: C24H31Cl2N3O2
• Molecular Weight: 464.44 g/mol
• Exact Mass: 463.18
• IUPAC Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
• SMILES: Cc1nc(CCC(=O)NCC(N)c2ccc(C(C)C)cc2)oc1-c1ccccc1.Cl.Cl
• InChI: InChI=1S/C24H29N3O2.2ClH/c1-16(2)18-9-11-19(12-10-18)21(25)15-26-22(28)13-14-23-27-17(3)24(29-23)20-7-5-4-6-8-20;;/h4-12,16,21H,13-15,25H2,1-3H3,(H,26,28);2*1H
• InChIKey: GLWFLZNGBDDGPO-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 81.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.44
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride (CID 119526054) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride.

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

The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is Cc1nc(CCC(=O)NCC(N)c2ccc(C(C)C)cc2)oc1-c1ccccc1.Cl.Cl.

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

The InChIKey is GLWFLZNGBDDGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2.2ClH/c1-16(2)18-9-11-19(12-10-18)21(25)15-26-22(28)13-14-23-27-17(3)24(29-23)20-7-5-4-6-8-20;;/h4-12,16,21H,13-15,25H2,1-3H3,(H,26,28);2*1H.

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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride has a molecular weight of 464.44 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119526054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).