3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

C11H15N5O — CID 103832492

IUPAC3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCn1cc(-c2noc([C@H]3CCCCN3)n2)cn1
InChIInChI=1S/C11H15N5O/c1-16-7-8(6-13-16)10-14-11(17-15-10)9-4-2-3-5-12-9/h6-7,9,12H,2-5H2,1H3/t9-/m1/s1
InChIKeyGYZKGUCDHIACIY-SECBINFHSA-N
MW233.27 g/mol
LogP1.28
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 103832492) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID103832492
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCn1cc(-c2noc([C@H]3CCCCN3)n2)cn1
InChIInChI=1S/C11H15N5O/c1-16-7-8(6-13-16)10-14-11(17-15-10)9-4-2-3-5-12-9/h6-7,9,12H,2-5H2,1H3/t9-/m1/s1
InChIKeyGYZKGUCDHIACIY-SECBINFHSA-N
XLogP1.28
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(furan-3-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914944
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
3-(4-bromo-3,5-dimethylphenyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915212
5-[(2S)-piperidin-2-yl]-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 103832702
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 65196042
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65198285

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (CID 103832492) is 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is Cn1cc(-c2noc([C@H]3CCCCN3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is GYZKGUCDHIACIY-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-7-8(6-13-16)10-14-11(17-15-10)9-4-2-3-5-12-9/h6-7,9,12H,2-5H2,1H3/t9-/m1/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 103832492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).