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

C11H16N4O2 — CID 53164485

IUPAC5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(CCOC)no1
InChIInChI=1S/C11H16N4O2/c1-3-10-12-5-6-15(10)8-11-13-9(14-17-11)4-7-16-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyMLRBCDHNIXFMDQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.07
Rot. Bonds6

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

5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 53164485) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID53164485
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(CCOC)no1
InChIInChI=1S/C11H16N4O2/c1-3-10-12-5-6-15(10)8-11-13-9(14-17-11)4-7-16-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyMLRBCDHNIXFMDQ-UHFFFAOYSA-N
XLogP1.07
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 53164485) is 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is CCc1nccn1Cc1nc(CCOC)no1.
What is the InChIKey of 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is MLRBCDHNIXFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-10-12-5-6-15(10)8-11-13-9(14-17-11)4-7-16-2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylimidazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53164485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).