N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide

C24H28FN3O2 — CID 34967892

About N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 34967892) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 34967892
• Molecular Formula: C24H28FN3O2
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.22
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3cccc(F)c3)N(C)C)o2)cc1C
• InChI: InChI=1S/C24H28FN3O2/c1-16-8-9-19(12-17(16)2)22-15-27-24(30-22)11-10-23(29)26-14-21(28(3)4)18-6-5-7-20(25)13-18/h5-9,12-13,15,21H,10-11,14H2,1-4H3,(H,26,29)/t21-/m1/s1
• InChIKey: KPJBMSIZFXAPIC-OAQYLSRUSA-N
• XLogP: 4.45
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide (CID 34967892) is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3cccc(F)c3)N(C)C)o2)cc1C.

What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is KPJBMSIZFXAPIC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16-8-9-19(12-17(16)2)22-15-27-24(30-22)11-10-23(29)26-14-21(28(3)4)18-6-5-7-20(25)13-18/h5-9,12-13,15,21H,10-11,14H2,1-4H3,(H,26,29)/t21-/m1/s1.

What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide?

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 409.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 34967892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).