[4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C34H32F3N3O3S — CID 59209920

About [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

[4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 59209920) has the molecular formula C34H32F3N3O3S and a molecular weight of 619.71 g/mol. Its IUPAC name is [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
• PubChem CID: 59209920
• Molecular Formula: C34H32F3N3O3S
• Molecular Weight: 619.71 g/mol
• Exact Mass: 619.21
• IUPAC Name: [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
• SMILES: CC1OC(c2ccccc2)C(C)N1C(=O)c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1
• InChI: InChI=1S/C34H32F3N3O3S/c1-21-30(24-8-4-3-5-9-24)43-22(2)40(21)33(42)29-20-44-31(38-29)25-16-18-39(19-17-25)32(41)28-11-7-6-10-27(28)23-12-14-26(15-13-23)34(35,36)37/h3-15,20-22,25,30H,16-19H2,1-2H3
• InChIKey: NMMZYFGTOBBDCG-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 62.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.71
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?

The IUPAC name of [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 59209920) is [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

What is the SMILES notation for [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?

The canonical SMILES for [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is CC1OC(c2ccccc2)C(C)N1C(=O)c1csc(C2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)n1.

What is the InChIKey of [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?

The InChIKey is NMMZYFGTOBBDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N3O3S/c1-21-30(24-8-4-3-5-9-24)43-22(2)40(21)33(42)29-20-44-31(38-29)25-16-18-39(19-17-25)32(41)28-11-7-6-10-27(28)23-12-14-26(15-13-23)34(35,36)37/h3-15,20-22,25,30H,16-19H2,1-2H3.

What are the key properties of [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?

[4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 619.71 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(2,4-dimethyl-5-phenyl-1,3-oxazolidine-3-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 59209920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).