2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C18H20N4O3S — CID 72717125

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C18H20N4O3S/c1-11-15(12(2)25-21-11)8-16(23)22-6-3-4-13(9-22)17-19-20-18(24-17)14-5-7-26-10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKeyWUQDMQUMNIKFFO-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.35
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 72717125) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID72717125
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C18H20N4O3S/c1-11-15(12(2)25-21-11)8-16(23)22-6-3-4-13(9-22)17-19-20-18(24-17)14-5-7-26-10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKeyWUQDMQUMNIKFFO-UHFFFAOYSA-N
XLogP3.35
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 72717125) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is WUQDMQUMNIKFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-15(12(2)25-21-11)8-16(23)22-6-3-4-13(9-22)17-19-20-18(24-17)14-5-7-26-10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 372.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72717125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).