(4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid

C24H23F3N2O4S — CID 25069944

About (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 25069944) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid
• PubChem CID: 25069944
• Molecular Formula: C24H23F3N2O4S
• Molecular Weight: 492.52 g/mol
• Exact Mass: 492.13
• IUPAC Name: (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(CCN2CSC[C@H]2C(=O)O)cc1
• InChI: InChI=1S/C24H23F3N2O4S/c1-15-20(28-22(33-15)17-4-6-18(7-5-17)24(25,26)27)12-32-19-8-2-16(3-9-19)10-11-29-14-34-13-21(29)23(30)31/h2-9,21H,10-14H2,1H3,(H,30,31)/t21-/m0/s1
• InChIKey: BGSBPCGRYPKRFA-NRFANRHFSA-N
• XLogP: 5.25
• TPSA: 75.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.52
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid?

The IUPAC name of (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid (CID 25069944) is (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid.

What is the SMILES notation for (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid?

The canonical SMILES for (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(CCN2CSC[C@H]2C(=O)O)cc1.

What is the InChIKey of (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid?

The InChIKey is BGSBPCGRYPKRFA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-15-20(28-22(33-15)17-4-6-18(7-5-17)24(25,26)27)12-32-19-8-2-16(3-9-19)10-11-29-14-34-13-21(29)23(30)31/h2-9,21H,10-14H2,1H3,(H,30,31)/t21-/m0/s1.

What are the key properties of (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid?

(4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 492.52 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[2-[4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 25069944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).