(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone

C21H25F3N4O2 — CID 42199584

About (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 42199584) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 42199584
• Molecular Formula: C21H25F3N4O2
• Molecular Weight: 422.45 g/mol
• Exact Mass: 422.19
• IUPAC Name: (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)no1
• InChI: InChI=1S/C21H25F3N4O2/c1-15-12-19(25-30-15)20(29)28-7-3-6-18(14-28)27-10-8-26(9-11-27)17-5-2-4-16(13-17)21(22,23)24/h2,4-5,12-13,18H,3,6-11,14H2,1H3/t18-/m1/s1
• InChIKey: RJXXQAMZVYTJSC-GOSISDBHSA-N
• XLogP: 3.43
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.45
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone (CID 42199584) is (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)no1.

What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is RJXXQAMZVYTJSC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-15-12-19(25-30-15)20(29)28-7-3-6-18(14-28)27-10-8-26(9-11-27)17-5-2-4-16(13-17)21(22,23)24/h2,4-5,12-13,18H,3,6-11,14H2,1H3/t18-/m1/s1.

What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?

(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 422.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42199584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).