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

C8H14N2O3 — CID 66264295

IUPAC(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCCCc1noc([C@H](C)O)n1
InChIInChI=1S/C8H14N2O3/c1-6(11)8-9-7(10-13-8)4-3-5-12-2/h6,11H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyJJZVQCYJSBYTEK-LURJTMIESA-N
MW186.21 g/mol
LogP0.70
Rot. Bonds5

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

(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66264295) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66264295
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCCCc1noc([C@H](C)O)n1
InChIInChI=1S/C8H14N2O3/c1-6(11)8-9-7(10-13-8)4-3-5-12-2/h6,11H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyJJZVQCYJSBYTEK-LURJTMIESA-N
XLogP0.70
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.70
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

1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349188
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
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65221941
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65094593
(1R)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899466
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
N-ethyl-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65093953
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349235
3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-N-propylpentan-2-amine
CID 65093849
1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65093584
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66264295) is (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol is COCCCc1noc([C@H](C)O)n1.
What is the InChIKey of (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is JJZVQCYJSBYTEK-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)8-9-7(10-13-8)4-3-5-12-2/h6,11H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 186.21 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66264295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).