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

C24H23F3N2O4 — CID 69171905

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

1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 69171905) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 69171905
• Molecular Formula: C24H23F3N2O4
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.16
• IUPAC Name: 1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(CN2CCCC2C(=O)O)c1
• InChI: InChI=1S/C24H23F3N2O4/c1-15-20(28-22(33-15)17-7-9-18(10-8-17)24(25,26)27)14-32-19-5-2-4-16(12-19)13-29-11-3-6-21(29)23(30)31/h2,4-5,7-10,12,21H,3,6,11,13-14H2,1H3,(H,30,31)
• InChIKey: IMODEYKCEWKIEZ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 75.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid (CID 69171905) is 1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid.

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

The canonical SMILES for 1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(CN2CCCC2C(=O)O)c1.

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

The InChIKey is IMODEYKCEWKIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-15-20(28-22(33-15)17-7-9-18(10-8-17)24(25,26)27)14-32-19-5-2-4-16(12-19)13-29-11-3-6-21(29)23(30)31/h2,4-5,7-10,12,21H,3,6,11,13-14H2,1H3,(H,30,31).

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

1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 460.45 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69171905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).