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

C13H17N3O5S — CID 53175554

IUPAC4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
SMILESCC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)o1
InChIInChI=1S/C13H17N3O5S/c1-9(2)12-14-15-13(21-12)10-3-4-11(20-10)22(17,18)16-5-7-19-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyVKFUWGCWJKDQQP-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.47
Rot. Bonds4

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

4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine (PubChem CID 53175554) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
PubChem CID53175554
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine
SMILESCC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)o1
InChIInChI=1S/C13H17N3O5S/c1-9(2)12-14-15-13(21-12)10-3-4-11(20-10)22(17,18)16-5-7-19-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyVKFUWGCWJKDQQP-UHFFFAOYSA-N
XLogP1.47
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine (CID 53175554) is 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine is CC(C)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)o2)o1.
What is the InChIKey of 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
The InChIKey is VKFUWGCWJKDQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-9(2)12-14-15-13(21-12)10-3-4-11(20-10)22(17,18)16-5-7-19-8-6-16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine?
4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine has a molecular weight of 327.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonylmorpholine is sourced from PubChem (CID 53175554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).