5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole

C11H13N5O — CID 115528821

IUPAC5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCNCC3)n2)ncn1
InChIInChI=1S/C11H13N5O/c1-4-12-5-2-8(1)11-15-10(16-17-11)9-3-6-13-7-14-9/h3,6-8,12H,1-2,4-5H2
InChIKeyYSRNASPYDFADHD-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.99
Rot. Bonds2

About 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole

5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole (PubChem CID 115528821) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
PubChem CID115528821
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(C3CCNCC3)n2)ncn1
InChIInChI=1S/C11H13N5O/c1-4-12-5-2-8(1)11-15-10(16-17-11)9-3-6-13-7-14-9/h3,6-8,12H,1-2,4-5H2
InChIKeyYSRNASPYDFADHD-UHFFFAOYSA-N
XLogP0.99
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole (CID 115528821) is 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole is c1cc(-c2noc(C3CCNCC3)n2)ncn1.
What is the InChIKey of 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole?
The InChIKey is YSRNASPYDFADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-4-12-5-2-8(1)11-15-10(16-17-11)9-3-6-13-7-14-9/h3,6-8,12H,1-2,4-5H2.
What are the key properties of 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole?
5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115528821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).