2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite

C77H77F17N24O17S — CID 167557313

About 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite

2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite (PubChem CID 167557313) has the molecular formula C77H77F17N24O17S and a molecular weight of 1965.65 g/mol. Its IUPAC name is 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite.

Molecular Properties

• Compound Name: 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite
• PubChem CID: 167557313
• Molecular Formula: C77H77F17N24O17S
• Molecular Weight: 1965.65 g/mol
• Exact Mass: 1964.53
• IUPAC Name: 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite
• SMILES: CSF.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)O)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1.NCCO
• InChI: InChI=1S/3C19H18F4N6O4.C17H13F4N5O4.C2H7NO.CH3FS/c3*1-29-13(9-14(27-29)19(21,22)23)17(32)25-12(8-15(31)24-5-6-30)18-26-16(28-33-18)10-3-2-4-11(20)7-10;1-26-11(7-12(24-26)17(19,20)21)15(29)22-10(6-13(27)28)16-23-14(25-30-16)8-3-2-4-9(18)5-8;3-1-2-4;1-3-2/h3*2-4,7,9,12,30H,5-6,8H2,1H3,(H,24,31)(H,25,32);2-5,7,10H,6H2,1H3,(H,22,29)(H,27,28);4H,1-3H2;1H3/t12-;;;;;/m1...../s1
• InChIKey: DEGAHHVJWIBHPQ-VMXKKCQBSA-N
• XLogP: 7.54
• TPSA: 574.90 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1965.65
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite?

The IUPAC name of 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite (CID 167557313) is 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite.

What is the SMILES notation for 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite?

The canonical SMILES for 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite is CSF.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)O)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC(=O)NCCO)c1nc(-c2cccc(F)c2)no1.NCCO.

What is the InChIKey of 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite?

The InChIKey is DEGAHHVJWIBHPQ-VMXKKCQBSA-N. The full InChI is InChI=1S/3C19H18F4N6O4.C17H13F4N5O4.C2H7NO.CH3FS/c3*1-29-13(9-14(27-29)19(21,22)23)17(32)25-12(8-15(31)24-5-6-30)18-26-16(28-33-18)10-3-2-4-11(20)7-10;1-26-11(7-12(24-26)17(19,20)21)15(29)22-10(6-13(27)28)16-23-14(25-30-16)8-3-2-4-9(18)5-8;3-1-2-4;1-3-2/h3*2-4,7,9,12,30H,5-6,8H2,1H3,(H,24,31)(H,25,32);2-5,7,10H,6H2,1H3,(H,22,29)(H,27,28);4H,1-3H2;1H3/t12-;;;;;/m1...../s1.

What are the key properties of 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite?

2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite has a molecular weight of 1965.65 g/mol, XLogP of 7.54, 31 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;bis(N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-hydroxyethylamino)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoic acid;methyl thiohypofluorite is sourced from PubChem (CID 167557313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).