(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C26H27F9N2O2 — CID 24896007

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 24896007) has the molecular formula C26H27F9N2O2 and a molecular weight of 570.50 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 24896007
• Molecular Formula: C26H27F9N2O2
• Molecular Weight: 570.50 g/mol
• Exact Mass: 570.19
• IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: CCN(Cc1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C)C(C)C
• InChI: InChI=1S/C26H27F9N2O2/c1-5-36(14(2)3)12-16-6-7-19(24(27,28)29)10-18(16)13-37-15(4)22(39-23(37)38)17-8-20(25(30,31)32)11-21(9-17)26(33,34)35/h6-11,14-15,22H,5,12-13H2,1-4H3/t15-,22-/m0/s1
• InChIKey: BLXCXPVQIMDELS-NYHFZMIOSA-N
• XLogP: 8.06
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.50
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 24896007) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is CCN(Cc1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C)C(C)C.

What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is BLXCXPVQIMDELS-NYHFZMIOSA-N. The full InChI is InChI=1S/C26H27F9N2O2/c1-5-36(14(2)3)12-16-6-7-19(24(27,28)29)10-18(16)13-37-15(4)22(39-23(37)38)17-8-20(25(30,31)32)11-21(9-17)26(33,34)35/h6-11,14-15,22H,5,12-13H2,1-4H3/t15-,22-/m0/s1.

What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 570.50 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[[ethyl(propan-2-yl)amino]methyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24896007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).