N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite

C55H57F10N15O9S — CID 167627450

About N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite

N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite (PubChem CID 167627450) has the molecular formula C55H57F10N15O9S and a molecular weight of 1294.20 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite.

Molecular Properties

• Compound Name: N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite
• PubChem CID: 167627450
• Molecular Formula: C55H57F10N15O9S
• Molecular Weight: 1294.20 g/mol
• Exact Mass: 1293.40
• IUPAC Name: N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite
• SMILES: COCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C)c2)no1.COC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C)c2)no1.COC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C)c2)no1.CSF
• InChI: InChI=1S/3C18H18F3N5O3.CH3FS/c3*1-10-5-4-6-11(7-10)15-23-17(29-25-15)12(9-28-3)22-16(27)13-8-14(18(19,20)21)24-26(13)2;1-3-2/h3*4-8,12H,9H2,1-3H3,(H,22,27);1H3/t2*12-;;/m10../s1
• InChIKey: NHUBIUPZFNTTTH-VUIMEFRESA-N
• XLogP: 9.98
• TPSA: 285.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1294.20
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite?

The IUPAC name of N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite (CID 167627450) is N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite.

What is the SMILES notation for N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite?

The canonical SMILES for N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite is COCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C)c2)no1.COC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C)c2)no1.COC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C)c2)no1.CSF.

What is the InChIKey of N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite?

The InChIKey is NHUBIUPZFNTTTH-VUIMEFRESA-N. The full InChI is InChI=1S/3C18H18F3N5O3.CH3FS/c3*1-10-5-4-6-11(7-10)15-23-17(29-25-15)12(9-28-3)22-16(27)13-8-14(18(19,20)21)24-26(13)2;1-3-2/h3*4-8,12H,9H2,1-3H3,(H,22,27);1H3/t2*12-;;/m10../s1.

What are the key properties of N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite?

N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite has a molecular weight of 1294.20 g/mol, XLogP of 9.98, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[2-methoxy-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methyl thiohypofluorite is sourced from PubChem (CID 167627450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).