N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H22FN3O3 — CID 39956388

About N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 39956388) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 39956388
• Molecular Formula: C20H22FN3O3
• Molecular Weight: 371.41 g/mol
• Exact Mass: 371.16
• IUPAC Name: N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• SMILES: CN(C)[C@@H](CNC(=O)CCn1c(=O)oc2ccccc21)c1cccc(F)c1
• InChI: InChI=1S/C20H22FN3O3/c1-23(2)17(14-6-5-7-15(21)12-14)13-22-19(25)10-11-24-16-8-3-4-9-18(16)27-20(24)26/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,25)/t17-/m0/s1
• InChIKey: KOELIADWHJYWQD-KRWDZBQOSA-N
• XLogP: 2.54
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.41
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 39956388) is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CN(C)[C@@H](CNC(=O)CCn1c(=O)oc2ccccc21)c1cccc(F)c1.

What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is KOELIADWHJYWQD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-23(2)17(14-6-5-7-15(21)12-14)13-22-19(25)10-11-24-16-8-3-4-9-18(16)27-20(24)26/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,25)/t17-/m0/s1.

What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 371.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 39956388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).