3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C17H20N4O4 — CID 53193134

IUPAC3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C17H20N4O4/c1-5-15-18-6-7-21(15)10-14-19-17(25-20-14)11-8-12(22-2)16(24-4)13(9-11)23-3/h6-9H,5,10H2,1-4H3
InChIKeyLIZSJNYBOGENTH-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.57
Rot. Bonds7

About 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 53193134) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID53193134
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C17H20N4O4/c1-5-15-18-6-7-21(15)10-14-19-17(25-20-14)11-8-12(22-2)16(24-4)13(9-11)23-3/h6-9H,5,10H2,1-4H3
InChIKeyLIZSJNYBOGENTH-UHFFFAOYSA-N
XLogP2.57
TPSA84.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 53193134) is 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is CCc1nccn1Cc1noc(-c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LIZSJNYBOGENTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-5-15-18-6-7-21(15)10-14-19-17(25-20-14)11-8-12(22-2)16(24-4)13(9-11)23-3/h6-9H,5,10H2,1-4H3.
What are the key properties of 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 344.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylimidazol-1-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53193134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).