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

C8H14N2O3 — CID 103096193

IUPAC1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C(C)OC)n1
InChIInChI=1S/C8H14N2O3/c1-4-6(11)7-9-8(13-10-7)5(2)12-3/h5-6,11H,4H2,1-3H3
InChIKeyFHYSWGFAFUTGMX-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.22
Rot. Bonds4

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

1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096193) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096193
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(C(C)OC)n1
InChIInChI=1S/C8H14N2O3/c1-4-6(11)7-9-8(13-10-7)5(2)12-3/h5-6,11H,4H2,1-3H3
InChIKeyFHYSWGFAFUTGMX-UHFFFAOYSA-N
XLogP1.22
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096440
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 79605448
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79614154
3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732859
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63716697
1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096225
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
(1S,2R)-1-amino-1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965588
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096193) is 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(C(C)OC)n1.
What is the InChIKey of 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is FHYSWGFAFUTGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-4-6(11)7-9-8(13-10-7)5(2)12-3/h5-6,11H,4H2,1-3H3.
What are the key properties of 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 186.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).