3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

C18H20N6O2 — CID 92577767

IUPAC3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C18H20N6O2/c25-16(7-13-24-10-3-9-20-24)23-11-5-14(6-12-23)17-21-22-18(26-17)15-4-1-2-8-19-15/h1-4,8-10,14H,5-7,11-13H2
InChIKeyXVNIVXWAAVABKN-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.12
Rot. Bonds5

About 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 92577767) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID92577767
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cccn1)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C18H20N6O2/c25-16(7-13-24-10-3-9-20-24)23-11-5-14(6-12-23)17-21-22-18(26-17)15-4-1-2-8-19-15/h1-4,8-10,14H,5-7,11-13H2
InChIKeyXVNIVXWAAVABKN-UHFFFAOYSA-N
XLogP2.12
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (CID 92577767) is 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCn1cccn1)N1CCC(c2nnc(-c3ccccn3)o2)CC1.
What is the InChIKey of 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XVNIVXWAAVABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-16(7-13-24-10-3-9-20-24)23-11-5-14(6-12-23)17-21-22-18(26-17)15-4-1-2-8-19-15/h1-4,8-10,14H,5-7,11-13H2.
What are the key properties of 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 352.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92577767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).