(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C31H30N2O6 — CID 58354377

About (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58354377) has the molecular formula C31H30N2O6 and a molecular weight of 526.59 g/mol. Its IUPAC name is (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 58354377
• Molecular Formula: C31H30N2O6
• Molecular Weight: 526.59 g/mol
• Exact Mass: 526.21
• IUPAC Name: (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccccc3)cc2)[C@@H](O)c2ccno2)[C@H]1c1ccccc1
• InChI: InChI=1S/C31H30N2O6/c1-30(2)26(24-12-8-5-9-13-24)33(29(36)38-30)28(35)31(3,27(34)25-18-19-32-39-25)37-20-21-14-16-23(17-15-21)22-10-6-4-7-11-22/h4-19,26-27,34H,20H2,1-3H3/t26-,27-,31-/m0/s1
• InChIKey: YZDZEHLOWKGXNY-HEWUYBSCSA-N
• XLogP: 5.85
• TPSA: 102.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.59
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 58354377) is (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccccc3)cc2)[C@@H](O)c2ccno2)[C@H]1c1ccccc1.

What is the InChIKey of (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is YZDZEHLOWKGXNY-HEWUYBSCSA-N. The full InChI is InChI=1S/C31H30N2O6/c1-30(2)26(24-12-8-5-9-13-24)33(29(36)38-30)28(35)31(3,27(34)25-18-19-32-39-25)37-20-21-14-16-23(17-15-21)22-10-6-4-7-11-22/h4-19,26-27,34H,20H2,1-3H3/t26-,27-,31-/m0/s1.

What are the key properties of (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 526.59 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S,3R)-3-hydroxy-2-methyl-3-(1,2-oxazol-5-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58354377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).