3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole

C12H18N4O2 — CID 75433961

IUPAC3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCOC(C)c1nccn1Cc1noc(CC)n1
InChIInChI=1S/C12H18N4O2/c1-4-11-14-10(15-18-11)8-16-7-6-13-12(16)9(3)17-5-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyLKOFOOYGGANEIV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.97
Rot. Bonds6

About 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole

3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 75433961) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID75433961
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCOC(C)c1nccn1Cc1noc(CC)n1
InChIInChI=1S/C12H18N4O2/c1-4-11-14-10(15-18-11)8-16-7-6-13-12(16)9(3)17-5-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyLKOFOOYGGANEIV-UHFFFAOYSA-N
XLogP1.97
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole (CID 75433961) is 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is CCOC(C)c1nccn1Cc1noc(CC)n1.
What is the InChIKey of 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is LKOFOOYGGANEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-11-14-10(15-18-11)8-16-7-6-13-12(16)9(3)17-5-2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole?
3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 75433961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).