5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole

C25H27F3N2O2 — CID 143186014

About 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole

5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole (PubChem CID 143186014) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
• PubChem CID: 143186014
• Molecular Formula: C25H27F3N2O2
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.20
• IUPAC Name: 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole
• SMILES: Cc1oc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)nc1CCCN1CCC[C@H]1C
• InChI: InChI=1S/C25H27F3N2O2/c1-17-5-3-15-30(17)16-4-6-23-18(2)31-24(29-23)21-9-7-19(8-10-21)20-11-13-22(14-12-20)32-25(26,27)28/h7-14,17H,3-6,15-16H2,1-2H3/t17-/m1/s1
• InChIKey: UQPKDIRTMIITDB-QGZVFWFLSA-N
• XLogP: 6.63
• TPSA: 38.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?

The IUPAC name of 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole (CID 143186014) is 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole.

What is the SMILES notation for 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?

The canonical SMILES for 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole is Cc1oc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)nc1CCCN1CCC[C@H]1C.

What is the InChIKey of 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?

The InChIKey is UQPKDIRTMIITDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c1-17-5-3-15-30(17)16-4-6-23-18(2)31-24(29-23)21-9-7-19(8-10-21)20-11-13-22(14-12-20)32-25(26,27)28/h7-14,17H,3-6,15-16H2,1-2H3/t17-/m1/s1.

What are the key properties of 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole?

5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole has a molecular weight of 444.50 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propyl]-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 143186014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).