5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one

C32H28F7NO3 — CID 162552001

About 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 162552001) has the molecular formula C32H28F7NO3 and a molecular weight of 607.57 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one
• PubChem CID: 162552001
• Molecular Formula: C32H28F7NO3
• Molecular Weight: 607.57 g/mol
• Exact Mass: 607.20
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one
• SMILES: C=C1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C2CC2)ccc1-c1cc(C(C)C)c(F)cc1OC
• InChI: InChI=1S/C32H28F7NO3/c1-16(2)25-13-26(28(42-4)14-27(25)33)24-8-7-19(18-5-6-18)9-21(24)15-40-17(3)29(43-30(40)41)20-10-22(31(34,35)36)12-23(11-20)32(37,38)39/h7-14,16,18,29H,3,5-6,15H2,1-2,4H3
• InChIKey: OUIUWJDPUWOXNH-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.57
LogP ≤ 5	9.75
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-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one (CID 162552001) is 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one is C=C1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C2CC2)ccc1-c1cc(C(C)C)c(F)cc1OC.

What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one?

The InChIKey is OUIUWJDPUWOXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F7NO3/c1-16(2)25-13-26(28(42-4)14-27(25)33)24-8-7-19(18-5-6-18)9-21(24)15-40-17(3)29(43-30(40)41)20-10-22(31(34,35)36)12-23(11-20)32(37,38)39/h7-14,16,18,29H,3,5-6,15H2,1-2,4H3.

What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one?

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 607.57 g/mol, XLogP of 9.75, 7 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-[[5-cyclopropyl-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 162552001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).