5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one

C14H17N5O4 — CID 91950872

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCOCC3)c2=O)n1
InChIInChI=1S/C14H17N5O4/c1-10-16-13(23-17-10)11-8-15-9-19(14(11)21)3-2-12(20)18-4-6-22-7-5-18/h8-9H,2-7H2,1H3
InChIKeyINSXLZQUOCPLET-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.15
Rot. Bonds4

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one

5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one (PubChem CID 91950872) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one
PubChem CID91950872
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCOCC3)c2=O)n1
InChIInChI=1S/C14H17N5O4/c1-10-16-13(23-17-10)11-8-15-9-19(14(11)21)3-2-12(20)18-4-6-22-7-5-18/h8-9H,2-7H2,1H3
InChIKeyINSXLZQUOCPLET-UHFFFAOYSA-N
XLogP-0.15
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one (CID 91950872) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CCOCC3)c2=O)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one?
The InChIKey is INSXLZQUOCPLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-10-16-13(23-17-10)11-8-15-9-19(14(11)21)3-2-12(20)18-4-6-22-7-5-18/h8-9H,2-7H2,1H3.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one has a molecular weight of 319.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one is sourced from PubChem (CID 91950872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).