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

C33H30F3N3O4 — CID 25010232

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

4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide (PubChem CID 25010232) has the molecular formula C33H30F3N3O4 and a molecular weight of 589.61 g/mol. Its IUPAC name is 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide
• PubChem CID: 25010232
• Molecular Formula: C33H30F3N3O4
• Molecular Weight: 589.61 g/mol
• Exact Mass: 589.22
• IUPAC Name: 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide
• SMILES: COc1ccc(-c2ccc(C(N)=O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2ccnc(C)c2)[C@@H]1C
• InChI: InChI=1S/C33H30F3N3O4/c1-18-13-23(31(37)40)5-8-26(18)21-6-10-29(42-4)28(16-21)27-9-7-25(33(34,35)36)15-24(27)17-39-20(3)30(43-32(39)41)22-11-12-38-19(2)14-22/h5-16,20,30H,17H2,1-4H3,(H2,37,40)/t20-,30-/m0/s1
• InChIKey: ASUZATRFNOTSLZ-WRGVRERRSA-N
• XLogP: 7.24
• TPSA: 94.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.61
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide (CID 25010232) is 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide.

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

The canonical SMILES for 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide is COc1ccc(-c2ccc(C(N)=O)cc2C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2ccnc(C)c2)[C@@H]1C.

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

The InChIKey is ASUZATRFNOTSLZ-WRGVRERRSA-N. The full InChI is InChI=1S/C33H30F3N3O4/c1-18-13-23(31(37)40)5-8-26(18)21-6-10-29(42-4)28(16-21)27-9-7-25(33(34,35)36)15-24(27)17-39-20(3)30(43-32(39)41)22-11-12-38-19(2)14-22/h5-16,20,30H,17H2,1-4H3,(H2,37,40)/t20-,30-/m0/s1.

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

4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide has a molecular weight of 589.61 g/mol, XLogP of 7.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-methoxy-3-[2-[[(4S,5R)-4-methyl-5-(2-methyl-4-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 25010232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).