3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile

C14H14N4O2S — CID 24804431

IUPAC3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile
SMILESN#CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2
InChIKeySSTGJZVDCOEUFG-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.42
Rot. Bonds3

About 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile

3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile (PubChem CID 24804431) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile
PubChem CID24804431
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile
SMILESN#CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2
InChIKeySSTGJZVDCOEUFG-UHFFFAOYSA-N
XLogP2.42
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile (CID 24804431) is 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile is N#CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile?
The InChIKey is SSTGJZVDCOEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2.
What are the key properties of 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile?
3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile has a molecular weight of 302.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 24804431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).