N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

C13H15N3O4S — CID 60556897

IUPACN-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)NC1CCOCC1
InChIInChI=1S/C13H15N3O4S/c17-11(14-9-3-5-19-6-4-9)8-16-13(18)20-12(15-16)10-2-1-7-21-10/h1-2,7,9H,3-6,8H2,(H,14,17)
InChIKeyPIHOPGPBYXKWRK-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.86
Rot. Bonds4

About N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide

N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 60556897) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID60556897
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)NC1CCOCC1
InChIInChI=1S/C13H15N3O4S/c17-11(14-9-3-5-19-6-4-9)8-16-13(18)20-12(15-16)10-2-1-7-21-10/h1-2,7,9H,3-6,8H2,(H,14,17)
InChIKeyPIHOPGPBYXKWRK-UHFFFAOYSA-N
XLogP0.86
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide (CID 60556897) is N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is O=C(Cn1nc(-c2cccs2)oc1=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is PIHOPGPBYXKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-11(14-9-3-5-19-6-4-9)8-16-13(18)20-12(15-16)10-2-1-7-21-10/h1-2,7,9H,3-6,8H2,(H,14,17).
What are the key properties of N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide?
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 309.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 60556897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).