(3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one

C20H17FN2O3 — CID 125488963

About (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one

(3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 125488963) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
• PubChem CID: 125488963
• Molecular Formula: C20H17FN2O3
• Molecular Weight: 352.37 g/mol
• Exact Mass: 352.12
• IUPAC Name: (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
• SMILES: COc1cc(N2CC[C@H](c3ccccc3F)C2=O)ccc1-c1cnco1
• InChI: InChI=1S/C20H17FN2O3/c1-25-18-10-13(6-7-16(18)19-11-22-12-26-19)23-9-8-15(20(23)24)14-4-2-3-5-17(14)21/h2-7,10-12,15H,8-9H2,1H3/t15-/m1/s1
• InChIKey: YCDUPGVYFTZVPX-OAHLLOKOSA-N
• XLogP: 4.01
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.37
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?

The IUPAC name of (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one (CID 125488963) is (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one.

What is the SMILES notation for (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?

The canonical SMILES for (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one is COc1cc(N2CC[C@H](c3ccccc3F)C2=O)ccc1-c1cnco1.

What is the InChIKey of (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?

The InChIKey is YCDUPGVYFTZVPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-25-18-10-13(6-7-16(18)19-11-22-12-26-19)23-9-8-15(20(23)24)14-4-2-3-5-17(14)21/h2-7,10-12,15H,8-9H2,1H3/t15-/m1/s1.

What are the key properties of (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one?

(3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 352.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(2-fluorophenyl)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 125488963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).