5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one

C16H21N5O3 — CID 91950893

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCCC(C)C3)c2=O)n1
InChIInChI=1S/C16H21N5O3/c1-11-4-3-6-20(9-11)14(22)5-7-21-10-17-8-13(16(21)23)15-18-12(2)19-24-15/h8,10-11H,3-7,9H2,1-2H3
InChIKeyYZHJVMBVTIICLP-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.25
Rot. Bonds4

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

5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one (PubChem CID 91950893) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
PubChem CID91950893
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCCC(C)C3)c2=O)n1
InChIInChI=1S/C16H21N5O3/c1-11-4-3-6-20(9-11)14(22)5-7-21-10-17-8-13(16(21)23)15-18-12(2)19-24-15/h8,10-11H,3-7,9H2,1-2H3
InChIKeyYZHJVMBVTIICLP-UHFFFAOYSA-N
XLogP1.25
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.25
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-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one (CID 91950893) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CCCC(C)C3)c2=O)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one?
The InChIKey is YZHJVMBVTIICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-4-3-6-20(9-11)14(22)5-7-21-10-17-8-13(16(21)23)15-18-12(2)19-24-15/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one has a molecular weight of 331.38 g/mol, XLogP of 1.25, 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-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one is sourced from PubChem (CID 91950893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).