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

C14H20N4O4S — CID 53175761

IUPAC2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2coc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)o1
InChIInChI=1S/C14H20N4O4S/c1-10(2)17-4-6-18(7-5-17)23(19,20)13-8-12(9-21-13)14-16-15-11(3)22-14/h8-10H,4-7H2,1-3H3
InChIKeyPAVTUEBSAOJVBN-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.35
Rot. Bonds4

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

2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 53175761) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID53175761
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2coc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)o1
InChIInChI=1S/C14H20N4O4S/c1-10(2)17-4-6-18(7-5-17)23(19,20)13-8-12(9-21-13)14-16-15-11(3)22-14/h8-10H,4-7H2,1-3H3
InChIKeyPAVTUEBSAOJVBN-UHFFFAOYSA-N
XLogP1.35
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 53175761) is 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is Cc1nnc(-c2coc(S(=O)(=O)N3CCN(C(C)C)CC3)c2)o1.
What is the InChIKey of 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is PAVTUEBSAOJVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-10(2)17-4-6-18(7-5-17)23(19,20)13-8-12(9-21-13)14-16-15-11(3)22-14/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 340.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).