methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate

C33H29F3N2O5 — CID 25009503

About methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate

methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate (PubChem CID 25009503) has the molecular formula C33H29F3N2O5 and a molecular weight of 590.60 g/mol. Its IUPAC name is methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate.

Molecular Properties

• Compound Name: methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate
• PubChem CID: 25009503
• Molecular Formula: C33H29F3N2O5
• Molecular Weight: 590.60 g/mol
• Exact Mass: 590.20
• IUPAC Name: methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate
• SMILES: COC(=O)c1ccc(-c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3CN3C(=O)O[C@H](c4ccncc4)[C@@H]3C)c2)c(C)c1
• InChI: InChI=1S/C33H29F3N2O5/c1-19-15-23(31(39)42-4)5-8-26(19)22-6-10-29(41-3)28(17-22)27-9-7-25(33(34,35)36)16-24(27)18-38-20(2)30(43-32(38)40)21-11-13-37-14-12-21/h5-17,20,30H,18H2,1-4H3/t20-,30-/m0/s1
• InChIKey: KEDIBHPEXXLYPS-WRGVRERRSA-N
• XLogP: 7.62
• TPSA: 77.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.60
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate?

The IUPAC name of methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate (CID 25009503) is methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate.

What is the SMILES notation for methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate?

The canonical SMILES for methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate is COC(=O)c1ccc(-c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3CN3C(=O)O[C@H](c4ccncc4)[C@@H]3C)c2)c(C)c1.

What is the InChIKey of methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate?

The InChIKey is KEDIBHPEXXLYPS-WRGVRERRSA-N. The full InChI is InChI=1S/C33H29F3N2O5/c1-19-15-23(31(39)42-4)5-8-26(19)22-6-10-29(41-3)28(17-22)27-9-7-25(33(34,35)36)16-24(27)18-38-20(2)30(43-32(38)40)21-11-13-37-14-12-21/h5-17,20,30H,18H2,1-4H3/t20-,30-/m0/s1.

What are the key properties of methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate?

methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate has a molecular weight of 590.60 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-2-oxo-5-pyridin-4-yl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoate is sourced from PubChem (CID 25009503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).