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

C27H28N4O4 — CID 42841179

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

3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 42841179) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841179
• Molecular Formula: C27H28N4O4
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.21
• IUPAC Name: 3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
• SMILES: CCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NCc2cccnc2)c1
• InChI: InChI=1S/C27H28N4O4/c1-3-23(32)30-22-8-4-7-21(14-22)25-24(26(33)29-16-20-6-5-13-28-15-20)31(27(34)35-25)17-19-11-9-18(2)10-12-19/h4-15,24-25H,3,16-17H2,1-2H3,(H,29,33)(H,30,32)
• InChIKey: YKLHGZIAYUNZDV-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 42841179) is 3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is CCC(=O)Nc1cccc(C2OC(=O)N(Cc3ccc(C)cc3)C2C(=O)NCc2cccnc2)c1.

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

The InChIKey is YKLHGZIAYUNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-3-23(32)30-22-8-4-7-21(14-22)25-24(26(33)29-16-20-6-5-13-28-15-20)31(27(34)35-25)17-19-11-9-18(2)10-12-19/h4-15,24-25H,3,16-17H2,1-2H3,(H,29,33)(H,30,32).

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

3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).