N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide

C24H23BrN4O4 — CID 66737439

About N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide

N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide (PubChem CID 66737439) has the molecular formula C24H23BrN4O4 and a molecular weight of 511.38 g/mol. Its IUPAC name is N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
• PubChem CID: 66737439
• Molecular Formula: C24H23BrN4O4
• Molecular Weight: 511.38 g/mol
• Exact Mass: 510.09
• IUPAC Name: N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
• SMILES: COc1ccc2nccc(C=CC(=O)N(C)C[C@@H]3CN(c4ccc(C)c(Br)c4)C(=O)O3)c2n1
• InChI: InChI=1S/C24H23BrN4O4/c1-15-4-6-17(12-19(15)25)29-14-18(33-24(29)31)13-28(2)22(30)9-5-16-10-11-26-20-7-8-21(32-3)27-23(16)20/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1
• InChIKey: YFSFRWYNKKXQNX-GOSISDBHSA-N
• XLogP: 4.21
• TPSA: 84.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.38
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

The IUPAC name of N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide (CID 66737439) is N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide.

What is the SMILES notation for N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

The canonical SMILES for N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide is COc1ccc2nccc(C=CC(=O)N(C)C[C@@H]3CN(c4ccc(C)c(Br)c4)C(=O)O3)c2n1.

What is the InChIKey of N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

The InChIKey is YFSFRWYNKKXQNX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23BrN4O4/c1-15-4-6-17(12-19(15)25)29-14-18(33-24(29)31)13-28(2)22(30)9-5-16-10-11-26-20-7-8-21(32-3)27-23(16)20/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1.

What are the key properties of N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?

N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide has a molecular weight of 511.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 66737439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).