N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate

C52H43F12N17O10 — CID 167625458

About N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate

N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate (PubChem CID 167625458) has the molecular formula C52H43F12N17O10 and a molecular weight of 1294.00 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate.

Molecular Properties

• Compound Name: N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate
• PubChem CID: 167625458
• Molecular Formula: C52H43F12N17O10
• Molecular Weight: 1294.00 g/mol
• Exact Mass: 1293.32
• IUPAC Name: N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate
• SMILES: COC(=O)CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC(N)=O)c1nc(-c2cccc(F)c2)no1
• InChI: InChI=1S/C18H15F4N5O4.2C17H14F4N6O3/c1-27-12(8-13(25-27)18(20,21)22)16(29)23-11(7-14(28)30-2)17-24-15(26-31-17)9-4-3-5-10(19)6-9;2*1-27-11(7-12(25-27)17(19,20)21)15(29)23-10(6-13(22)28)16-24-14(26-30-16)8-3-2-4-9(18)5-8/h3-6,8,11H,7H2,1-2H3,(H,23,29);2*2-5,7,10H,6H2,1H3,(H2,22,28)(H,23,29)/t;2*10-/m.10/s1
• InChIKey: NAOVYOFKJIHMDO-SCRBEDTGSA-N
• XLogP: 6.61
• TPSA: 370.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1294.00
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate?

The IUPAC name of N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate (CID 167625458) is N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate.

What is the SMILES notation for N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate?

The canonical SMILES for N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate is COC(=O)CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC(N)=O)c1nc(-c2cccc(F)c2)no1.

What is the InChIKey of N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate?

The InChIKey is NAOVYOFKJIHMDO-SCRBEDTGSA-N. The full InChI is InChI=1S/C18H15F4N5O4.2C17H14F4N6O3/c1-27-12(8-13(25-27)18(20,21)22)16(29)23-11(7-14(28)30-2)17-24-15(26-31-17)9-4-3-5-10(19)6-9;2*1-27-11(7-12(25-27)17(19,20)21)15(29)23-10(6-13(22)28)16-24-14(26-30-16)8-3-2-4-9(18)5-8/h3-6,8,11H,7H2,1-2H3,(H,23,29);2*2-5,7,10H,6H2,1H3,(H2,22,28)(H,23,29)/t;2*10-/m.10/s1.

What are the key properties of N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate?

N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate has a molecular weight of 1294.00 g/mol, XLogP of 6.61, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 167625458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).