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

C22H23F2N3O2 — CID 39957558

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

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 39957558) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 39957558
• Molecular Formula: C22H23F2N3O2
• Molecular Weight: 399.44 g/mol
• Exact Mass: 399.18
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccc(F)c1
• InChI: InChI=1S/C22H23F2N3O2/c1-27(2)19(16-4-3-5-18(24)12-16)13-25-21(28)10-11-22-26-14-20(29-22)15-6-8-17(23)9-7-15/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,25,28)/t19-/m1/s1
• InChIKey: LIDIJTFPTXJOQS-LJQANCHMSA-N
• XLogP: 3.97
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.44
LogP ≤ 5	3.97
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-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 39957558) is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1cccc(F)c1.

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

The InChIKey is LIDIJTFPTXJOQS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-27(2)19(16-4-3-5-18(24)12-16)13-25-21(28)10-11-22-26-14-20(29-22)15-6-8-17(23)9-7-15/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,25,28)/t19-/m1/s1.

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

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 399.44 g/mol, XLogP of 3.97, 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-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 39957558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).