2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide

C20H20N4O4 — CID 86822218

About 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide (PubChem CID 86822218) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide
• PubChem CID: 86822218
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.15
• IUPAC Name: 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(N4CCOC4=O)cc3)c2C)no1
• InChI: InChI=1S/C20H20N4O4/c1-12-10-17(14(3)24(12)18-11-13(2)28-22-18)19(25)21-15-4-6-16(7-5-15)23-8-9-27-20(23)26/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)
• InChIKey: AVZUXZVGXIUYEQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide?

The IUPAC name of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide (CID 86822218) is 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide.

What is the SMILES notation for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide?

The canonical SMILES for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)Nc3ccc(N4CCOC4=O)cc3)c2C)no1.

What is the InChIKey of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide?

The InChIKey is AVZUXZVGXIUYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12-10-17(14(3)24(12)18-11-13(2)28-22-18)19(25)21-15-4-6-16(7-5-15)23-8-9-27-20(23)26/h4-7,10-11H,8-9H2,1-3H3,(H,21,25).

What are the key properties of 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide?

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 86822218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).