1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid

C13H15N5O3 — CID 71563740

IUPAC1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCc1noc(-c2cncnc2N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C13H15N5O3/c1-8-16-12(21-17-8)10-5-14-7-15-11(10)18-4-2-3-9(6-18)13(19)20/h5,7,9H,2-4,6H2,1H3,(H,19,20)
InChIKeyXARWAQRLVOFKFX-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.14
Rot. Bonds3

About 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid

1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 71563740) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID71563740
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCc1noc(-c2cncnc2N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C13H15N5O3/c1-8-16-12(21-17-8)10-5-14-7-15-11(10)18-4-2-3-9(6-18)13(19)20/h5,7,9H,2-4,6H2,1H3,(H,19,20)
InChIKeyXARWAQRLVOFKFX-UHFFFAOYSA-N
XLogP1.14
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 71563740) is 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid is Cc1noc(-c2cncnc2N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is XARWAQRLVOFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-16-12(21-17-8)10-5-14-7-15-11(10)18-4-2-3-9(6-18)13(19)20/h5,7,9H,2-4,6H2,1H3,(H,19,20).
What are the key properties of 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 289.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 71563740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).