2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride

C23H21Cl2F3N4O2 — CID 71280673

About 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride (PubChem CID 71280673) has the molecular formula C23H21Cl2F3N4O2 and a molecular weight of 513.35 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride
• PubChem CID: 71280673
• Molecular Formula: C23H21Cl2F3N4O2
• Molecular Weight: 513.35 g/mol
• Exact Mass: 512.10
• IUPAC Name: 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride
• SMILES: CC(C)(CNCc1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(Cl)cc2)n1.Cl
• InChI: InChI=1S/C23H20ClF3N4O2.ClH/c1-22(2,18-12-32-20(29-18)15-6-8-17(24)9-7-15)13-28-11-14-4-3-5-16(10-14)19-30-21(33-31-19)23(25,26)27;/h3-10,12,28H,11,13H2,1-2H3;1H
• InChIKey: YYWFLYOIXVKWNH-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.35
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride?

The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride (CID 71280673) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride.

What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride?

The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride is CC(C)(CNCc1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(Cl)cc2)n1.Cl.

What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride?

The InChIKey is YYWFLYOIXVKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O2.ClH/c1-22(2,18-12-32-20(29-18)15-6-8-17(24)9-7-15)13-28-11-14-4-3-5-16(10-14)19-30-21(33-31-19)23(25,26)27;/h3-10,12,28H,11,13H2,1-2H3;1H.

What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride?

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride has a molecular weight of 513.35 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-2-methyl-N-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 71280673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).