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

C24H23F3N2O4 — CID 69171180

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

[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate (PubChem CID 69171180) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is [3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: [3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate
• PubChem CID: 69171180
• Molecular Formula: C24H23F3N2O4
• Molecular Weight: 460.45 g/mol
• Exact Mass: 460.16
• IUPAC Name: [3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(COC(=O)C2CCCN2)c1
• InChI: InChI=1S/C24H23F3N2O4/c1-15-21(29-22(33-15)17-7-9-18(10-8-17)24(25,26)27)14-31-19-5-2-4-16(12-19)13-32-23(30)20-6-3-11-28-20/h2,4-5,7-10,12,20,28H,3,6,11,13-14H2,1H3
• InChIKey: ANCGYKYAYDYEEF-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.45
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate (CID 69171180) is [3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate.

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

The canonical SMILES for [3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(COC(=O)C2CCCN2)c1.

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

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

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

[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate has a molecular weight of 460.45 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 69171180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).