6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate

C31H31F6N2O5- — CID 154506880

About 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate

6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate (PubChem CID 154506880) has the molecular formula C31H31F6N2O5- and a molecular weight of 625.59 g/mol. Its IUPAC name is 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate.

Molecular Properties

• Compound Name: 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate
• PubChem CID: 154506880
• Molecular Formula: C31H31F6N2O5-
• Molecular Weight: 625.59 g/mol
• Exact Mass: 625.21
• IUPAC Name: 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate
• SMILES: COc1cc2c(cc1C1=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC1)N(C(=O)[O-])CC2
• InChI: InChI=1S/C31H32F6N2O5/c1-16-26(18-9-20(30(32,33)34)12-21(10-18)31(35,36)37)44-28(42)39(16)15-19-14-29(2,3)7-5-22(19)23-13-24-17(11-25(23)43-4)6-8-38(24)27(40)41/h9-13,16,26H,5-8,14-15H2,1-4H3,(H,40,41)/p-1/t16-,26-/m0/s1
• InChIKey: HYVLKCDTHFLBOQ-QMTYFTJSSA-M
• XLogP: 6.98
• TPSA: 82.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.59
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate?

The IUPAC name of 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate (CID 154506880) is 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate.

What is the SMILES notation for 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate?

The canonical SMILES for 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate is COc1cc2c(cc1C1=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC1)N(C(=O)[O-])CC2.

What is the InChIKey of 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate?

The InChIKey is HYVLKCDTHFLBOQ-QMTYFTJSSA-M. The full InChI is InChI=1S/C31H32F6N2O5/c1-16-26(18-9-20(30(32,33)34)12-21(10-18)31(35,36)37)44-28(42)39(16)15-19-14-29(2,3)7-5-22(19)23-13-24-17(11-25(23)43-4)6-8-38(24)27(40)41/h9-13,16,26H,5-8,14-15H2,1-4H3,(H,40,41)/p-1/t16-,26-/m0/s1.

What are the key properties of 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate?

6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate has a molecular weight of 625.59 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-5-methoxy-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 154506880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).