4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine

C11H13N3O5S — CID 53175452

IUPAC4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
SMILESCc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)o1
InChIInChI=1S/C11H13N3O5S/c1-8-12-13-11(18-8)9-2-3-10(19-9)20(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyJCZBWCOKAVOPIU-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.66
Rot. Bonds3

About 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine

4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine (PubChem CID 53175452) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
PubChem CID53175452
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
SMILESCc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)o1
InChIInChI=1S/C11H13N3O5S/c1-8-12-13-11(18-8)9-2-3-10(19-9)20(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyJCZBWCOKAVOPIU-UHFFFAOYSA-N
XLogP0.66
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine (CID 53175452) is 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine is Cc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)o1.
What is the InChIKey of 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
The InChIKey is JCZBWCOKAVOPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-8-12-13-11(18-8)9-2-3-10(19-9)20(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine has a molecular weight of 299.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine is sourced from PubChem (CID 53175452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).