[4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite

C59H63F4N13O9S4 — CID 167541160

About [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite

[4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite (PubChem CID 167541160) has the molecular formula C59H63F4N13O9S4 and a molecular weight of 1302.49 g/mol. Its IUPAC name is [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite.

Molecular Properties

• Compound Name: [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite
• PubChem CID: 167541160
• Molecular Formula: C59H63F4N13O9S4
• Molecular Weight: 1302.49 g/mol
• Exact Mass: 1301.37
• IUPAC Name: [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite
• SMILES: CN1CCC(c2nnc(NC(=O)c3ccc(SF)cc3)o2)CC1.O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(SF)cc1.O=C(Nc1nnc(C2CCCCCC2)o1)c1ccc(SF)cc1.O=C(Nc1nnc(C2CCCO2)o1)c1ccc(SF)cc1
• InChI: InChI=1S/C16H18FN3O2S.C15H17FN4O2S.C15H16FN3O2S.C13H12FN3O3S/c17-23-13-9-7-11(8-10-13)14(21)18-16-20-19-15(22-16)12-5-3-1-2-4-6-12;1-20-8-6-11(7-9-20)14-18-19-15(22-14)17-13(21)10-2-4-12(23-16)5-3-10;16-22-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11;14-21-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h7-10,12H,1-6H2,(H,18,20,21);2-5,11H,6-9H2,1H3,(H,17,19,21);6-9,11H,1-5H2,(H,17,19,20);3-6,10H,1-2,7H2,(H,15,17,18)
• InChIKey: BFDFFGWXMUERMK-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 284.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1302.49
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?

The IUPAC name of [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite (CID 167541160) is [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite.

What is the SMILES notation for [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?

The canonical SMILES for [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite is CN1CCC(c2nnc(NC(=O)c3ccc(SF)cc3)o2)CC1.O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(SF)cc1.O=C(Nc1nnc(C2CCCCCC2)o1)c1ccc(SF)cc1.O=C(Nc1nnc(C2CCCO2)o1)c1ccc(SF)cc1.

What is the InChIKey of [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?

The InChIKey is BFDFFGWXMUERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S.C15H17FN4O2S.C15H16FN3O2S.C13H12FN3O3S/c17-23-13-9-7-11(8-10-13)14(21)18-16-20-19-15(22-16)12-5-3-1-2-4-6-12;1-20-8-6-11(7-9-20)14-18-19-15(22-14)17-13(21)10-2-4-12(23-16)5-3-10;16-22-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11;14-21-9-5-3-8(4-6-9)11(18)15-13-17-16-12(20-13)10-2-1-7-19-10/h7-10,12H,1-6H2,(H,18,20,21);2-5,11H,6-9H2,1H3,(H,17,19,21);6-9,11H,1-5H2,(H,17,19,20);3-6,10H,1-2,7H2,(H,15,17,18).

What are the key properties of [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite?

[4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite has a molecular weight of 1302.49 g/mol, XLogP of 15.34, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl] thiohypofluorite;[4-[[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite;[4-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl] thiohypofluorite is sourced from PubChem (CID 167541160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).