5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

C9H12N4O2 — CID 53164449

IUPAC5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cn2ccnc2)n1
InChIInChI=1S/C9H12N4O2/c1-14-5-2-8-11-9(15-12-8)6-13-4-3-10-7-13/h3-4,7H,2,5-6H2,1H3
InChIKeyLRPNOTQDYJGAPZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.50
Rot. Bonds5

About 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 53164449) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
PubChem CID53164449
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cn2ccnc2)n1
InChIInChI=1S/C9H12N4O2/c1-14-5-2-8-11-9(15-12-8)6-13-4-3-10-7-13/h3-4,7H,2,5-6H2,1H3
InChIKeyLRPNOTQDYJGAPZ-UHFFFAOYSA-N
XLogP0.50
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 16191361
tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077871
5-Methyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53559374
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 56874414
3-[[2-(1-Ethoxyethyl)imidazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 75433961
3-Ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53014747
5-Ethyl-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53015264
5-(1H-imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 53164448
3-(2-methoxyethyl)-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53164459
5-[(2-Ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 53164482
5-[(2-Ethyl-1H-imidazol-1-YL)methyl]-3-(propan-2-YL)-1,2,4-oxadiazole
CID 53164483
3-Cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53164484

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole (CID 53164449) is 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is COCCc1noc(Cn2ccnc2)n1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is LRPNOTQDYJGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-14-5-2-8-11-9(15-12-8)6-13-4-3-10-7-13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole?
5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 208.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53164449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).