3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C19H24N6O2 — CID 171679924

IUPAC3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(CN3CCN(C)CC3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H24N6O2/c1-14-11-25(13-20-14)16-5-4-15(10-17(16)26-3)19-21-18(27-22-19)12-24-8-6-23(2)7-9-24/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyFWULNHBUPWXQLV-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.99
Rot. Bonds5

About 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 171679924) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID171679924
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(CN3CCN(C)CC3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H24N6O2/c1-14-11-25(13-20-14)16-5-4-15(10-17(16)26-3)19-21-18(27-22-19)12-24-8-6-23(2)7-9-24/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyFWULNHBUPWXQLV-UHFFFAOYSA-N
XLogP1.99
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 171679924) is 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is COc1cc(-c2noc(CN3CCN(C)CC3)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FWULNHBUPWXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-11-25(13-20-14)16-5-4-15(10-17(16)26-3)19-21-18(27-22-19)12-24-8-6-23(2)7-9-24/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 368.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 171679924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).