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

C17H21ClN4O3 — CID 120958988

IUPAC5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1c(-c2nc(C3CNCCN3C)no2)oc2ccccc12.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-21-8-7-18-9-13(21)16-19-17(24-20-16)15-12(10-22-2)11-5-3-4-6-14(11)23-15;/h3-6,13,18H,7-10H2,1-2H3;1H
InChIKeyVNMHVHKTCDGLEO-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.63
Rot. Bonds4

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

5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120958988) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120958988
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1c(-c2nc(C3CNCCN3C)no2)oc2ccccc12.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-21-8-7-18-9-13(21)16-19-17(24-20-16)15-12(10-22-2)11-5-3-4-6-14(11)23-15;/h3-6,13,18H,7-10H2,1-2H3;1H
InChIKeyVNMHVHKTCDGLEO-UHFFFAOYSA-N
XLogP2.63
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-isoquinolin-1-yl-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961025
5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958423
1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851915
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
5-(2-ethoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957648
3-(1-methylpiperazin-2-yl)-5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120959020
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-[2-[(2-methylphenyl)methoxy]phenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961282
5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960763
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120958988) is 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is COCc1c(-c2nc(C3CNCCN3C)no2)oc2ccccc12.Cl.
What is the InChIKey of 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is VNMHVHKTCDGLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c1-21-8-7-18-9-13(21)16-19-17(24-20-16)15-12(10-22-2)11-5-3-4-6-14(11)23-15;/h3-6,13,18H,7-10H2,1-2H3;1H.
What are the key properties of 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-1-benzofuran-2-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120958988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).