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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Related Compounds

3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
5-piperidin-4-yl-3-pyrazin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119948500
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 102894787
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 104899276
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 113329133
3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 115528900
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436572
3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417950
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
(1S,6R)-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963091

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).