3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide

C21H19N3O4 — CID 175964567

About 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide (PubChem CID 175964567) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
• PubChem CID: 175964567
• Molecular Formula: C21H19N3O4
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.14
• IUPAC Name: 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
• SMILES: CN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)no2)C1=O
• InChI: InChI=1S/C21H19N3O4/c1-24-9-8-21(27,20(24)26)18-12-17(23-28-18)15-6-2-4-13(10-15)14-5-3-7-16(11-14)19(22)25/h2-7,10-12,27H,8-9H2,1H3,(H2,22,25)/t21-/m1/s1
• InChIKey: YAWCAULRUQMNOY-OAQYLSRUSA-N
• XLogP: 2.16
• TPSA: 109.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?

The IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide (CID 175964567) is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide.

What is the SMILES notation for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?

The canonical SMILES for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide is CN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)no2)C1=O.

What is the InChIKey of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?

The InChIKey is YAWCAULRUQMNOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-24-9-8-21(27,20(24)26)18-12-17(23-28-18)15-6-2-4-13(10-15)14-5-3-7-16(11-14)19(22)25/h2-7,10-12,27H,8-9H2,1H3,(H2,22,25)/t21-/m1/s1.

What are the key properties of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide has a molecular weight of 377.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 175964567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).