tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite

C115H129F7N26O17S — CID 167618290

About tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite

tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite (PubChem CID 167618290) has the molecular formula C115H129F7N26O17S and a molecular weight of 2312.51 g/mol. Its IUPAC name is tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite.

Molecular Properties

• Compound Name: tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite
• PubChem CID: 167618290
• Molecular Formula: C115H129F7N26O17S
• Molecular Weight: 2312.51 g/mol
• Exact Mass: 2310.96
• IUPAC Name: tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite
• SMILES: CC(C)(C)OC(=O)NC(C(=O)O)C1CC1.CC(C)(C)OC(=O)NC(c1nc(-c2cccc(F)c2)no1)C1CC1.CSF.Cn1nc(C2CC2)cc1C(=O)NC(c1nc(-c2cccc(F)c2)no1)C1CC1.Cn1nc(C2CC2)cc1C(=O)N[C@@H](c1nc(-c2cccc(F)c2)no1)C1CC1.Cn1nc(C2CC2)cc1C(=O)N[C@H](c1nc(-c2cccc(F)c2)no1)C1CC1.Cn1nc(C2CC2)cc1C(=O)O.NC(=NO)c1cccc(F)c1.NC(c1nc(-c2cccc(F)c2)no1)C1CC1
• InChI: InChI=1S/3C20H20FN5O2.C17H20FN3O3.C12H12FN3O.C10H17NO4.C8H10N2O2.C7H7FN2O.CH3FS/c3*1-26-16(10-15(24-26)11-5-6-11)19(27)22-17(12-7-8-12)20-23-18(25-28-20)13-3-2-4-14(21)9-13;1-17(2,3)23-16(22)19-13(10-7-8-10)15-20-14(21-24-15)11-5-4-6-12(18)9-11;13-9-3-1-2-8(6-9)11-15-12(17-16-11)10(14)7-4-5-7;1-10(2,3)15-9(14)11-7(8(12)13)6-4-5-6;1-10-7(8(11)12)4-6(9-10)5-2-3-5;8-6-3-1-2-5(4-6)7(9)10-11;1-3-2/h3*2-4,9-12,17H,5-8H2,1H3,(H,22,27);4-6,9-10,13H,7-8H2,1-3H3,(H,19,22);1-3,6-7,10H,4-5,14H2;6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);4-5H,2-3H2,1H3,(H,11,12);1-4,11H,(H2,9,10);1H3/t2*17-;;;;;;;/m10......./s1
• InChIKey: MBIPUMMXZNLIIT-SELFCDHXSA-N
• XLogP: 20.76
• TPSA: 589.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.51
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite?

The IUPAC name of tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite (CID 167618290) is tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite.

What is the SMILES notation for tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite?

The canonical SMILES for tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite is CC(C)(C)OC(=O)NC(C(=O)O)C1CC1.CC(C)(C)OC(=O)NC(c1nc(-c2cccc(F)c2)no1)C1CC1.CSF.Cn1nc(C2CC2)cc1C(=O)NC(c1nc(-c2cccc(F)c2)no1)C1CC1.Cn1nc(C2CC2)cc1C(=O)N[C@@H](c1nc(-c2cccc(F)c2)no1)C1CC1.Cn1nc(C2CC2)cc1C(=O)N[C@H](c1nc(-c2cccc(F)c2)no1)C1CC1.Cn1nc(C2CC2)cc1C(=O)O.NC(=NO)c1cccc(F)c1.NC(c1nc(-c2cccc(F)c2)no1)C1CC1.

What is the InChIKey of tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite?

The InChIKey is MBIPUMMXZNLIIT-SELFCDHXSA-N. The full InChI is InChI=1S/3C20H20FN5O2.C17H20FN3O3.C12H12FN3O.C10H17NO4.C8H10N2O2.C7H7FN2O.CH3FS/c3*1-26-16(10-15(24-26)11-5-6-11)19(27)22-17(12-7-8-12)20-23-18(25-28-20)13-3-2-4-14(21)9-13;1-17(2,3)23-16(22)19-13(10-7-8-10)15-20-14(21-24-15)11-5-4-6-12(18)9-11;13-9-3-1-2-8(6-9)11-15-12(17-16-11)10(14)7-4-5-7;1-10(2,3)15-9(14)11-7(8(12)13)6-4-5-6;1-10-7(8(11)12)4-6(9-10)5-2-3-5;8-6-3-1-2-5(4-6)7(9)10-11;1-3-2/h3*2-4,9-12,17H,5-8H2,1H3,(H,22,27);4-6,9-10,13H,7-8H2,1-3H3,(H,19,22);1-3,6-7,10H,4-5,14H2;6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13);4-5H,2-3H2,1H3,(H,11,12);1-4,11H,(H2,9,10);1H3/t2*17-;;;;;;;/m10......./s1.

What are the key properties of tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite?

tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite has a molecular weight of 2312.51 g/mol, XLogP of 20.76, 31 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate;3-cyclopropyl-N-[cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(R)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(S)-cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazole-5-carboxamide;cyclopropyl-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;3-fluoro-N'-hydroxybenzenecarboximidamide;methyl thiohypofluorite is sourced from PubChem (CID 167618290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).