2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole

C13H19N5O — CID 51104515

IUPAC2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc(C(C)N2CCC(c3ccn[nH]3)CC2)o1
InChIInChI=1S/C13H19N5O/c1-9(13-17-15-10(2)19-13)18-7-4-11(5-8-18)12-3-6-14-16-12/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,14,16)
InChIKeyLJKDQWKYFKJISQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole

2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 51104515) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID51104515
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc(C(C)N2CCC(c3ccn[nH]3)CC2)o1
InChIInChI=1S/C13H19N5O/c1-9(13-17-15-10(2)19-13)18-7-4-11(5-8-18)12-3-6-14-16-12/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,14,16)
InChIKeyLJKDQWKYFKJISQ-UHFFFAOYSA-N
XLogP2.04
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole (CID 51104515) is 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole is Cc1nnc(C(C)N2CCC(c3ccn[nH]3)CC2)o1.
What is the InChIKey of 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is LJKDQWKYFKJISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(13-17-15-10(2)19-13)18-7-4-11(5-8-18)12-3-6-14-16-12/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 51104515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).