2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole

C16H22N4O4S — CID 53175609

IUPAC2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)CC1
InChIInChI=1S/C16H22N4O4S/c1-11(2)19-7-9-20(10-8-19)25(21,22)14-6-5-13(23-14)16-18-17-15(24-16)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBVOZNJQBJVFWPY-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.92
Rot. Bonds5

About 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole (PubChem CID 53175609) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
PubChem CID53175609
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)CC1
InChIInChI=1S/C16H22N4O4S/c1-11(2)19-7-9-20(10-8-19)25(21,22)14-6-5-13(23-14)16-18-17-15(24-16)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBVOZNJQBJVFWPY-UHFFFAOYSA-N
XLogP1.92
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole (CID 53175609) is 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole is CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
The InChIKey is BVOZNJQBJVFWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-11(2)19-7-9-20(10-8-19)25(21,22)14-6-5-13(23-14)16-18-17-15(24-16)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole has a molecular weight of 366.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).