N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide

C34H27N5O4 — CID 58978259

About N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide

N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide (PubChem CID 58978259) has the molecular formula C34H27N5O4 and a molecular weight of 569.62 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide
• PubChem CID: 58978259
• Molecular Formula: C34H27N5O4
• Molecular Weight: 569.62 g/mol
• Exact Mass: 569.21
• IUPAC Name: N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(C(=O)N3C(=O)OC[C@@H]3c3ccccc3)cc2)cc1Nc1nccc(-c2ccccc2)n1
• InChI: InChI=1S/C34H27N5O4/c1-22-12-17-27(20-29(22)38-33-35-19-18-28(37-33)23-8-4-2-5-9-23)36-31(40)25-13-15-26(16-14-25)32(41)39-30(21-43-34(39)42)24-10-6-3-7-11-24/h2-20,30H,21H2,1H3,(H,36,40)(H,35,37,38)/t30-/m1/s1
• InChIKey: PXNMHESHKLOXML-SSEXGKCCSA-N
• XLogP: 6.78
• TPSA: 113.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.62
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide?

The IUPAC name of N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide (CID 58978259) is N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide.

What is the SMILES notation for N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide?

The canonical SMILES for N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide is Cc1ccc(NC(=O)c2ccc(C(=O)N3C(=O)OC[C@@H]3c3ccccc3)cc2)cc1Nc1nccc(-c2ccccc2)n1.

What is the InChIKey of N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide?

The InChIKey is PXNMHESHKLOXML-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H27N5O4/c1-22-12-17-27(20-29(22)38-33-35-19-18-28(37-33)23-8-4-2-5-9-23)36-31(40)25-13-15-26(16-14-25)32(41)39-30(21-43-34(39)42)24-10-6-3-7-11-24/h2-20,30H,21H2,1H3,(H,36,40)(H,35,37,38)/t30-/m1/s1.

What are the key properties of N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide?

N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide has a molecular weight of 569.62 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]benzamide is sourced from PubChem (CID 58978259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).