5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one

C15H19N5O3 — CID 91950901

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCCCC3)c2=O)n1
InChIInChI=1S/C15H19N5O3/c1-11-17-14(23-18-11)12-9-16-10-20(15(12)22)8-5-13(21)19-6-3-2-4-7-19/h9-10H,2-8H2,1H3
InChIKeyUPBADTWFTWZBMG-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.00
Rot. Bonds4

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one

5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one (PubChem CID 91950901) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one
PubChem CID91950901
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCCCC3)c2=O)n1
InChIInChI=1S/C15H19N5O3/c1-11-17-14(23-18-11)12-9-16-10-20(15(12)22)8-5-13(21)19-6-3-2-4-7-19/h9-10H,2-8H2,1H3
InChIKeyUPBADTWFTWZBMG-UHFFFAOYSA-N
XLogP1.00
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one (CID 91950901) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CCCCC3)c2=O)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one?
The InChIKey is UPBADTWFTWZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-17-14(23-18-11)12-9-16-10-20(15(12)22)8-5-13(21)19-6-3-2-4-7-19/h9-10H,2-8H2,1H3.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one has a molecular weight of 317.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 91950901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).