3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole

C12H15N5O — CID 113329250

IUPAC3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1nccc(-c2noc(C3CCCNC3)n2)n1
InChIInChI=1S/C12H15N5O/c1-8-14-6-4-10(15-8)11-16-12(18-17-11)9-3-2-5-13-7-9/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyMVIYIIHEOCFHMX-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.30
Rot. Bonds2

About 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole

3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 113329250) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID113329250
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCc1nccc(-c2noc(C3CCCNC3)n2)n1
InChIInChI=1S/C12H15N5O/c1-8-14-6-4-10(15-8)11-16-12(18-17-11)9-3-2-5-13-7-9/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyMVIYIIHEOCFHMX-UHFFFAOYSA-N
XLogP1.30
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 113329298
N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 115531494
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(2-methyl-1,3-thiazol-5-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 68926446
5-(4-methoxypyrrolidin-2-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529362
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552121

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 113329250) is 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole is Cc1nccc(-c2noc(C3CCCNC3)n2)n1.
What is the InChIKey of 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is MVIYIIHEOCFHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-14-6-4-10(15-8)11-16-12(18-17-11)9-3-2-5-13-7-9/h4,6,9,13H,2-3,5,7H2,1H3.
What are the key properties of 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 245.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 113329250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).