5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C16H21N5O4 — CID 72904128

IUPAC5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCCc1noc(C2CCCN(C(=O)c3cnc(C)[nH]c3=O)C2)n1
InChIInChI=1S/C16H21N5O4/c1-10-17-8-12(14(22)18-10)16(23)21-6-3-4-11(9-21)15-19-13(20-25-15)5-7-24-2/h8,11H,3-7,9H2,1-2H3,(H,17,18,22)
InChIKeyTVZAVMQXRRIQQG-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.67
Rot. Bonds5

About 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 72904128) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID72904128
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCCc1noc(C2CCCN(C(=O)c3cnc(C)[nH]c3=O)C2)n1
InChIInChI=1S/C16H21N5O4/c1-10-17-8-12(14(22)18-10)16(23)21-6-3-4-11(9-21)15-19-13(20-25-15)5-7-24-2/h8,11H,3-7,9H2,1-2H3,(H,17,18,22)
InChIKeyTVZAVMQXRRIQQG-UHFFFAOYSA-N
XLogP0.67
TPSA114.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 72904128) is 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is COCCc1noc(C2CCCN(C(=O)c3cnc(C)[nH]c3=O)C2)n1.
What is the InChIKey of 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is TVZAVMQXRRIQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-10-17-8-12(14(22)18-10)16(23)21-6-3-4-11(9-21)15-19-13(20-25-15)5-7-24-2/h8,11H,3-7,9H2,1-2H3,(H,17,18,22).
What are the key properties of 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 347.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 72904128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).