5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C17H20N4O2 — CID 120961157

IUPAC5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(CCc2cc3ccccc3o2)n1
InChIInChI=1S/C17H20N4O2/c1-21-9-8-18-11-14(21)17-19-16(23-20-17)7-6-13-10-12-4-2-3-5-15(12)22-13/h2-5,10,14,18H,6-9,11H2,1H3
InChIKeyGUSKCTDFOWGCMO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds4

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

5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120961157) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120961157
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(CCc2cc3ccccc3o2)n1
InChIInChI=1S/C17H20N4O2/c1-21-9-8-18-11-14(21)17-19-16(23-20-17)7-6-13-10-12-4-2-3-5-15(12)22-13/h2-5,10,14,18H,6-9,11H2,1H3
InChIKeyGUSKCTDFOWGCMO-UHFFFAOYSA-N
XLogP2.18
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957131
5-[2-(3,4-dichlorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958835
3-(1-methylpiperazin-2-yl)-5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 120960405
5-[2-(2,3-difluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959984
5-[2-(4-tert-butylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960505
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
5-[2-(2-chlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961071
3-(1-methylpiperazin-2-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120958159
5-[2-(3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957592
3-(1-methylpiperazin-2-yl)-5-[2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 120957348
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600
5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956845

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120961157) is 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(CCc2cc3ccccc3o2)n1.
What is the InChIKey of 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is GUSKCTDFOWGCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-9-8-18-11-14(21)17-19-16(23-20-17)7-6-13-10-12-4-2-3-5-15(12)22-13/h2-5,10,14,18H,6-9,11H2,1H3.
What are the key properties of 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 312.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120961157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).