3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one

C21H22N4O3S — CID 42567883

IUPAC3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(=O)c1ccc(-c2nnc(CCC(=O)N3CCCC[C@@H]3c3ccccn3)o2)s1
InChIInChI=1S/C21H22N4O3S/c1-14(26)17-8-9-18(29-17)21-24-23-19(28-21)10-11-20(27)25-13-5-3-7-16(25)15-6-2-4-12-22-15/h2,4,6,8-9,12,16H,3,5,7,10-11,13H2,1H3/t16-/m1/s1
InChIKeyWERBXGCANGLFAW-MRXNPFEDSA-N
MW410.50 g/mol
LogP4.08
Rot. Bonds6

About 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one

3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 42567883) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
PubChem CID42567883
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(=O)c1ccc(-c2nnc(CCC(=O)N3CCCC[C@@H]3c3ccccn3)o2)s1
InChIInChI=1S/C21H22N4O3S/c1-14(26)17-8-9-18(29-17)21-24-23-19(28-21)10-11-20(27)25-13-5-3-7-16(25)15-6-2-4-12-22-15/h2,4,6,8-9,12,16H,3,5,7,10-11,13H2,1H3/t16-/m1/s1
InChIKeyWERBXGCANGLFAW-MRXNPFEDSA-N
XLogP4.08
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one (CID 42567883) is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one is CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCCC[C@@H]3c3ccccn3)o2)s1.
What is the InChIKey of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is WERBXGCANGLFAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14(26)17-8-9-18(29-17)21-24-23-19(28-21)10-11-20(27)25-13-5-3-7-16(25)15-6-2-4-12-22-15/h2,4,6,8-9,12,16H,3,5,7,10-11,13H2,1H3/t16-/m1/s1.
What are the key properties of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one?
3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 410.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 42567883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).