1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one

C10H14N4O2 — CID 116624283

IUPAC1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
SMILESCCc1noc(Cn2ccn(CC)c2=O)n1
InChIInChI=1S/C10H14N4O2/c1-3-8-11-9(16-12-8)7-14-6-5-13(4-2)10(14)15/h5-6H,3-4,7H2,1-2H3
InChIKeySCTZWGSOXKBONX-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.66
Rot. Bonds4

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

1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one (PubChem CID 116624283) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
PubChem CID116624283
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
SMILESCCc1noc(Cn2ccn(CC)c2=O)n1
InChIInChI=1S/C10H14N4O2/c1-3-8-11-9(16-12-8)7-14-6-5-13(4-2)10(14)15/h5-6H,3-4,7H2,1-2H3
InChIKeySCTZWGSOXKBONX-UHFFFAOYSA-N
XLogP0.66
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115646857
3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 114761369
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one
CID 116624641
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421775
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66408823
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579323
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63749652
5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
CID 83174607
5-fluoro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 99831505
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63903585
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222882

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one (CID 116624283) is 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one is CCc1noc(Cn2ccn(CC)c2=O)n1.
What is the InChIKey of 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one?
The InChIKey is SCTZWGSOXKBONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-8-11-9(16-12-8)7-14-6-5-13(4-2)10(14)15/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one?
1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one has a molecular weight of 222.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one is sourced from PubChem (CID 116624283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).