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

C10H14N4O2 — CID 53193146

IUPAC3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(COC)n1
InChIInChI=1S/C10H14N4O2/c1-3-9-11-4-5-14(9)6-8-12-10(7-15-2)16-13-8/h4-5H,3,6-7H2,1-2H3
InChIKeySDFPUHVMRDVOIG-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.02
Rot. Bonds5

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

3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 53193146) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID53193146
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1noc(COC)n1
InChIInChI=1S/C10H14N4O2/c1-3-9-11-4-5-14(9)6-8-12-10(7-15-2)16-13-8/h4-5H,3,6-7H2,1-2H3
InChIKeySDFPUHVMRDVOIG-UHFFFAOYSA-N
XLogP1.02
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole (CID 53193146) is 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole is CCc1nccn1Cc1noc(COC)n1.
What is the InChIKey of 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is SDFPUHVMRDVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-9-11-4-5-14(9)6-8-12-10(7-15-2)16-13-8/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 222.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylimidazol-1-yl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53193146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).