5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole

C18H22N6O3 — CID 120956190

IUPAC5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(COc2ccc(-c3nc(C4CNCCN4C)no3)cc2)no1
InChIInChI=1S/C18H22N6O3/c1-3-16-20-15(22-26-16)11-25-13-6-4-12(5-7-13)18-21-17(23-27-18)14-10-19-8-9-24(14)2/h4-7,14,19H,3,8-11H2,1-2H3
InChIKeyBUIDCTDGAUNRCS-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.84
Rot. Bonds6

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

5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole (PubChem CID 120956190) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole
PubChem CID120956190
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole
SMILESCCc1nc(COc2ccc(-c3nc(C4CNCCN4C)no3)cc2)no1
InChIInChI=1S/C18H22N6O3/c1-3-16-20-15(22-26-16)11-25-13-6-4-12(5-7-13)18-21-17(23-27-18)14-10-19-8-9-24(14)2/h4-7,14,19H,3,8-11H2,1-2H3
InChIKeyBUIDCTDGAUNRCS-UHFFFAOYSA-N
XLogP1.84
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
3-(1-methylpiperazin-2-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120960614
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
5-(3,4-dipropoxyphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958144
5-[(3-fluorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959053
5-[(4-ethoxyphenyl)sulfanylmethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961186
3-(1-methylpiperazin-2-yl)-5-[4-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120955943
N-(2-methoxyethyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120960268
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole (CID 120956190) is 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole is CCc1nc(COc2ccc(-c3nc(C4CNCCN4C)no3)cc2)no1.
What is the InChIKey of 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole?
The InChIKey is BUIDCTDGAUNRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-3-16-20-15(22-26-16)11-25-13-6-4-12(5-7-13)18-21-17(23-27-18)14-10-19-8-9-24(14)2/h4-7,14,19H,3,8-11H2,1-2H3.
What are the key properties of 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole?
5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole has a molecular weight of 370.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120956190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).