azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite

C84H89F17N24O17S — CID 167583312

About azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite

azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite (PubChem CID 167583312) has the molecular formula C84H89F17N24O17S and a molecular weight of 2061.82 g/mol. Its IUPAC name is azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite.

Molecular Properties

• Compound Name: azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite
• PubChem CID: 167583312
• Molecular Formula: C84H89F17N24O17S
• Molecular Weight: 2061.82 g/mol
• Exact Mass: 2060.63
• IUPAC Name: azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite
• SMILES: C.C.C.CSF.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)N1CC(O)C1)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)N1CC(O)C1)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC(=O)N1CC(O)C1)c1nc(-c2cccc(F)c2)no1.OC1CNC1
• InChI: InChI=1S/3C20H18F4N6O4.C17H13F4N5O4.C3H7NO.CH3FS.3CH4/c3*1-29-14(7-15(27-29)20(22,23)24)18(33)25-13(6-16(32)30-8-12(31)9-30)19-26-17(28-34-19)10-3-2-4-11(21)5-10;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;5-3-1-4-2-3;1-3-2;;;/h3*2-5,7,12-13,31H,6,8-9H2,1H3,(H,25,33);2-5,7,10H,6H2,1H3,(H,22,29)(H,27,28);3-5H,1-2H2;1H3;3*1H4/t2*13-;;;;;;;/m10......./s1
• InChIKey: HLWHRPOORFGWPQ-KNGFBZKGSA-N
• XLogP: 9.74
• TPSA: 534.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2061.82
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite?

The IUPAC name of azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite (CID 167583312) is azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite.

What is the SMILES notation for azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite?

The canonical SMILES for azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite is C.C.C.CSF.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(=O)N1CC(O)C1)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)N1CC(O)C1)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC(=O)N1CC(O)C1)c1nc(-c2cccc(F)c2)no1.OC1CNC1.

What is the InChIKey of azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite?

The InChIKey is HLWHRPOORFGWPQ-KNGFBZKGSA-N. The full InChI is InChI=1S/3C20H18F4N6O4.C17H13F4N5O4.C3H7NO.CH3FS.3CH4/c3*1-29-14(7-15(27-29)20(22,23)24)18(33)25-13(6-16(32)30-8-12(31)9-30)19-26-17(28-34-19)10-3-2-4-11(21)5-10;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;5-3-1-4-2-3;1-3-2;;;/h3*2-5,7,12-13,31H,6,8-9H2,1H3,(H,25,33);2-5,7,10H,6H2,1H3,(H,22,29)(H,27,28);3-5H,1-2H2;1H3;3*1H4/t2*13-;;;;;;;/m10......./s1.

What are the key properties of azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite?

azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite has a molecular weight of 2061.82 g/mol, XLogP of 9.74, 24 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-3-ol;N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(3-hydroxyazetidin-1-yl)-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;methane;methyl thiohypofluorite is sourced from PubChem (CID 167583312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).