5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole

C5H7IN2O — CID 64787979

IUPAC5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
SMILESCCc1nc(CI)no1
InChIInChI=1S/C5H7IN2O/c1-2-5-7-4(3-6)8-9-5/h2-3H2,1H3
InChIKeyGARSAVBLXTZZCZ-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.57
Rot. Bonds2

About 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole

5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole (PubChem CID 64787979) has the molecular formula C5H7IN2O and a molecular weight of 238.03 g/mol. Its IUPAC name is 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
PubChem CID64787979
Molecular FormulaC5H7IN2O
Molecular Weight238.03 g/mol
Exact Mass237.96
IUPAC Name5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
SMILESCCc1nc(CI)no1
InChIInChI=1S/C5H7IN2O/c1-2-5-7-4(3-6)8-9-5/h2-3H2,1H3
InChIKeyGARSAVBLXTZZCZ-UHFFFAOYSA-N
XLogP1.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
CID 161311247
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
CID 115888896
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 115638140
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-amine
CID 66220275
(2S)-2-amino-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 107773128
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91842487

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole (CID 64787979) is 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole is CCc1nc(CI)no1.
What is the InChIKey of 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole?
The InChIKey is GARSAVBLXTZZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2O/c1-2-5-7-4(3-6)8-9-5/h2-3H2,1H3.
What are the key properties of 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole?
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole has a molecular weight of 238.03 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 64787979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).