3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

C17H20ClN5O2 — CID 120836378

IUPAC3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(OCc2noc(-c3ccn(C4CCCNC4)n3)n2)cc1
InChIInChI=1S/C17H19N5O2.ClH/c1-2-6-14(7-3-1)23-12-16-19-17(24-21-16)15-8-10-22(20-15)13-5-4-9-18-11-13;/h1-3,6-8,10,13,18H,4-5,9,11-12H2;1H
InChIKeyWJZWTJRCIIAPQI-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.86
Rot. Bonds5

About 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120836378) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120836378
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(OCc2noc(-c3ccn(C4CCCNC4)n3)n2)cc1
InChIInChI=1S/C17H19N5O2.ClH/c1-2-6-14(7-3-1)23-12-16-19-17(24-21-16)15-8-10-22(20-15)13-5-4-9-18-11-13;/h1-3,6-8,10,13,18H,4-5,9,11-12H2;1H
InChIKeyWJZWTJRCIIAPQI-UHFFFAOYSA-N
XLogP2.86
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120836378) is 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is Cl.c1ccc(OCc2noc(-c3ccn(C4CCCNC4)n3)n2)cc1.
What is the InChIKey of 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WJZWTJRCIIAPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.ClH/c1-2-6-14(7-3-1)23-12-16-19-17(24-21-16)15-8-10-22(20-15)13-5-4-9-18-11-13;/h1-3,6-8,10,13,18H,4-5,9,11-12H2;1H.
What are the key properties of 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120836378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).