3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride

C17H22ClN3O3 — CID 120892284

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(-c3ccc4c(c3)CCO4)no2)CCNCC1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-21-11-17(5-7-18-8-6-17)16-19-15(20-23-16)13-2-3-14-12(10-13)4-9-22-14;/h2-3,10,18H,4-9,11H2,1H3;1H
InChIKeyLTPOBOVJWHNWGX-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.36
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride

3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120892284) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120892284
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(-c3ccc4c(c3)CCO4)no2)CCNCC1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-21-11-17(5-7-18-8-6-17)16-19-15(20-23-16)13-2-3-14-12(10-13)4-9-22-14;/h2-3,10,18H,4-9,11H2,1H3;1H
InChIKeyLTPOBOVJWHNWGX-UHFFFAOYSA-N
XLogP2.36
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841643
5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120836273
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842233
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120646550
(2R)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120892309
5-(azetidin-3-yloxymethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 120892299
5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120838673
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838500
5-[2-(azetidin-3-yl)ethyl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 167790866
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120842824

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (CID 120892284) is 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is COCC1(c2nc(-c3ccc4c(c3)CCO4)no2)CCNCC1.Cl.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is LTPOBOVJWHNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c1-21-11-17(5-7-18-8-6-17)16-19-15(20-23-16)13-2-3-14-12(10-13)4-9-22-14;/h2-3,10,18H,4-9,11H2,1H3;1H.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120892284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).