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

C14H17N5O3 — CID 91950898

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCCC3)c2=O)n1
InChIInChI=1S/C14H17N5O3/c1-10-16-13(22-17-10)11-8-15-9-19(14(11)21)7-4-12(20)18-5-2-3-6-18/h8-9H,2-7H2,1H3
InChIKeyLCLYEICIGGJRCF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.61
Rot. Bonds4

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

5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one (PubChem CID 91950898) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
PubChem CID91950898
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCCC3)c2=O)n1
InChIInChI=1S/C14H17N5O3/c1-10-16-13(22-17-10)11-8-15-9-19(14(11)21)7-4-12(20)18-5-2-3-6-18/h8-9H,2-7H2,1H3
InChIKeyLCLYEICIGGJRCF-UHFFFAOYSA-N
XLogP0.61
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.61
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-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one (CID 91950898) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CCCC3)c2=O)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
The InChIKey is LCLYEICIGGJRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10-16-13(22-17-10)11-8-15-9-19(14(11)21)7-4-12(20)18-5-2-3-6-18/h8-9H,2-7H2,1H3.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidin-4-one has a molecular weight of 303.32 g/mol, XLogP of 0.61, 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-pyrrolidin-1-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 91950898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).