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

C14H21N5O — CID 83197674

IUPAC3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C(C)(C)C3CCCNC3)n2)cn1
InChIInChI=1S/C14H21N5O/c1-14(2,11-5-4-6-15-8-11)13-17-12(18-20-13)10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyLQWWSHLMLKPHDY-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.75
Rot. Bonds3

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

3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 83197674) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID83197674
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C(C)(C)C3CCCNC3)n2)cn1
InChIInChI=1S/C14H21N5O/c1-14(2,11-5-4-6-15-8-11)13-17-12(18-20-13)10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyLQWWSHLMLKPHDY-UHFFFAOYSA-N
XLogP1.75
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199420
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199422
3-(2-methylfuran-3-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 104788733
5-(1-methylpyrazol-4-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024578
3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832492
3-(3-methoxypropyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83197137
2-ethyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 113308674
5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 83197748
3-(2-methylpropylsulfanylmethyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83197518
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65198285
2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
CID 83031621
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 79609646

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 83197674) is 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C(C)(C)C3CCCNC3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is LQWWSHLMLKPHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,11-5-4-6-15-8-11)13-17-12(18-20-13)10-7-16-19(3)9-10/h7,9,11,15H,4-6,8H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-4-yl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 1.75, 3 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-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83197674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).