1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol

C7H12N2O3 — CID 63349188

IUPAC1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCCc1noc(C(C)O)n1
InChIInChI=1S/C7H12N2O3/c1-5(10)7-8-6(9-12-7)3-4-11-2/h5,10H,3-4H2,1-2H3
InChIKeyGRVJVKVCNKSZLW-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.31
Rot. Bonds4

About 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol

1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63349188) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63349188
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCCc1noc(C(C)O)n1
InChIInChI=1S/C7H12N2O3/c1-5(10)7-8-6(9-12-7)3-4-11-2/h5,10H,3-4H2,1-2H3
InChIKeyGRVJVKVCNKSZLW-UHFFFAOYSA-N
XLogP0.31
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264295
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263590
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349235
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole
CID 102926413
ethyl 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 102926997
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
5-bromo-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 115079641
2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 118766115
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65094593
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65221941

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63349188) is 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is COCCc1noc(C(C)O)n1.
What is the InChIKey of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is GRVJVKVCNKSZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)7-8-6(9-12-7)3-4-11-2/h5,10H,3-4H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 172.18 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63349188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).