[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol

C7H12N2O3 — CID 102660353

IUPAC[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCOCCc1nc(CO)no1
InChIInChI=1S/C7H12N2O3/c1-2-11-4-3-7-8-6(5-10)9-12-7/h10H,2-5H2,1H3
InChIKeyMJPIMXMYFZYLTH-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.14
Rot. Bonds5

About [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660353) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660353
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCOCCc1nc(CO)no1
InChIInChI=1S/C7H12N2O3/c1-2-11-4-3-7-8-6(5-10)9-12-7/h10H,2-5H2,1H3
InChIKeyMJPIMXMYFZYLTH-UHFFFAOYSA-N
XLogP0.14
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660354
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382755
2-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
CID 106814863
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
CID 106814497
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106815685
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660376
N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106814599
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660353) is [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol is CCOCCc1nc(CO)no1.
What is the InChIKey of [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is MJPIMXMYFZYLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-11-4-3-7-8-6(5-10)9-12-7/h10H,2-5H2,1H3.
What are the key properties of [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 172.18 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).