2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole

C14H19N3O4S — CID 53175781

IUPAC2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2coc(S(=O)(=O)N3CCC(C)CC3)c2)o1
InChIInChI=1S/C14H19N3O4S/c1-3-12-15-16-14(21-12)11-8-13(20-9-11)22(18,19)17-6-4-10(2)5-7-17/h8-10H,3-7H2,1-2H3
InChIKeyHNOCSPXWZYSCPV-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.31
Rot. Bonds4

About 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole

2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (PubChem CID 53175781) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
PubChem CID53175781
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2coc(S(=O)(=O)N3CCC(C)CC3)c2)o1
InChIInChI=1S/C14H19N3O4S/c1-3-12-15-16-14(21-12)11-8-13(20-9-11)22(18,19)17-6-4-10(2)5-7-17/h8-10H,3-7H2,1-2H3
InChIKeyHNOCSPXWZYSCPV-UHFFFAOYSA-N
XLogP2.31
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole (CID 53175781) is 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is CCc1nnc(-c2coc(S(=O)(=O)N3CCC(C)CC3)c2)o1.
What is the InChIKey of 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
The InChIKey is HNOCSPXWZYSCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-3-12-15-16-14(21-12)11-8-13(20-9-11)22(18,19)17-6-4-10(2)5-7-17/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole?
2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole has a molecular weight of 325.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-(4-methylpiperidin-1-yl)sulfonylfuran-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53175781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).