5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C28H30N4O4 — CID 42841232

About 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 42841232) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841232
• Molecular Formula: C28H30N4O4
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.23
• IUPAC Name: 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
• SMILES: CCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NCc2ccccn2)c1
• InChI: InChI=1S/C28H30N4O4/c1-3-7-24(33)31-22-10-6-8-21(16-22)26-25(27(34)30-17-23-9-4-5-15-29-23)32(28(35)36-26)18-20-13-11-19(2)12-14-20/h4-6,8-16,25-26H,3,7,17-18H2,1-2H3,(H,30,34)(H,31,33)
• InChIKey: COIVJWVMQPAZAJ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 42841232) is 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is CCCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NCc2ccccn2)c1.

What is the InChIKey of 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

The InChIKey is COIVJWVMQPAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-3-7-24(33)31-22-10-6-8-21(16-22)26-25(27(34)30-17-23-9-4-5-15-29-23)32(28(35)36-26)18-20-13-11-19(2)12-14-20/h4-6,8-16,25-26H,3,7,17-18H2,1-2H3,(H,30,34)(H,31,33).

What are the key properties of 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?

5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(butanoylamino)phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).