5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C15H16N4O4S — CID 166314382

IUPAC5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CN(S(=O)(=O)c3ccc4occc4c3)C2)n1
InChIInChI=1S/C15H16N4O4S/c1-18(2)15-16-14(23-17-15)11-8-19(9-11)24(20,21)12-3-4-13-10(7-12)5-6-22-13/h3-7,11H,8-9H2,1-2H3
InChIKeyIJXXKVQVKCMQHO-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.67
Rot. Bonds4

About 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 166314382) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID166314382
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CN(S(=O)(=O)c3ccc4occc4c3)C2)n1
InChIInChI=1S/C15H16N4O4S/c1-18(2)15-16-14(23-17-15)11-8-19(9-11)24(20,21)12-3-4-13-10(7-12)5-6-22-13/h3-7,11H,8-9H2,1-2H3
InChIKeyIJXXKVQVKCMQHO-UHFFFAOYSA-N
XLogP1.67
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 166314382) is 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2CN(S(=O)(=O)c3ccc4occc4c3)C2)n1.
What is the InChIKey of 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is IJXXKVQVKCMQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-18(2)15-16-14(23-17-15)11-8-19(9-11)24(20,21)12-3-4-13-10(7-12)5-6-22-13/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 348.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 166314382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).