N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

C18H20FN3O3 — CID 125021697

About N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 125021697) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 125021697
• Molecular Formula: C18H20FN3O3
• Molecular Weight: 345.37 g/mol
• Exact Mass: 345.15
• IUPAC Name: N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1
• InChI: InChI=1S/C18H20FN3O3/c1-12(23)20-11-17(24)22-7-3-6-16(22)18-21-10-15(25-18)9-13-4-2-5-14(19)8-13/h2,4-5,8,10,16H,3,6-7,9,11H2,1H3,(H,20,23)/t16-/m1/s1
• InChIKey: YLQCSSNBYBHJNC-MRXNPFEDSA-N
• XLogP: 2.20
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.37
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 125021697) is N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1.

What is the InChIKey of N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is YLQCSSNBYBHJNC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12(23)20-11-17(24)22-7-3-6-16(22)18-21-10-15(25-18)9-13-4-2-5-14(19)8-13/h2,4-5,8,10,16H,3,6-7,9,11H2,1H3,(H,20,23)/t16-/m1/s1.

What are the key properties of N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?

N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 125021697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).