5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

C30H28F9NO3 — CID 88930310

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 88930310) has the molecular formula C30H28F9NO3 and a molecular weight of 621.54 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 88930310
• Molecular Formula: C30H28F9NO3
• Molecular Weight: 621.54 g/mol
• Exact Mass: 621.19
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: COC1(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)C=C(C(F)(F)F)C=CC1c1cccc(C(C)C)c1
• InChI: InChI=1S/C30H28F9NO3/c1-16(2)18-6-5-7-19(10-18)24-9-8-21(28(31,32)33)14-27(24,42-4)15-40-17(3)25(43-26(40)41)20-11-22(29(34,35)36)13-23(12-20)30(37,38)39/h5-14,16-17,24-25H,15H2,1-4H3
• InChIKey: WGKWSDYGAUCUSR-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.54
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 88930310) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is COC1(CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)C=C(C(F)(F)F)C=CC1c1cccc(C(C)C)c1.

What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is WGKWSDYGAUCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F9NO3/c1-16(2)18-6-5-7-19(10-18)24-9-8-21(28(31,32)33)14-27(24,42-4)15-40-17(3)25(43-26(40)41)20-11-22(29(34,35)36)13-23(12-20)30(37,38)39/h5-14,16-17,24-25H,15H2,1-4H3.

What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 621.54 g/mol, XLogP of 8.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[1-methoxy-6-(3-propan-2-ylphenyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 88930310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).