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

C11H14N4O — CID 53164484

IUPAC3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(C2CC2)no1
InChIInChI=1S/C11H14N4O/c1-2-9-12-5-6-15(9)7-10-13-11(14-16-10)8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyCMGWBTNNRWAGOO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds4

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

3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53164484) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53164484
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1nccn1Cc1nc(C2CC2)no1
InChIInChI=1S/C11H14N4O/c1-2-9-12-5-6-15(9)7-10-13-11(14-16-10)8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyCMGWBTNNRWAGOO-UHFFFAOYSA-N
XLogP1.75
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
3-cyclohexyl-5-[(2-ethyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53164468
5-Methyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53559374
5-Cyclopropyl-3-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53566155
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53567324
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 53612620
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 53620241
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1'-methyl-1H,1'H-2,2'-biimidazole
CID 56874414
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872452
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 71878595
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 71878603
5-Cyclopropyl-3-[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122863

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53164484) is 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole is CCc1nccn1Cc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is CMGWBTNNRWAGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-9-12-5-6-15(9)7-10-13-11(14-16-10)8-3-4-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2-ethylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53164484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).