1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol

C6H10N2O3 — CID 103096440

IUPAC1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
SMILESCCC(O)c1noc(OC)n1
InChIInChI=1S/C6H10N2O3/c1-3-4(9)5-7-6(10-2)11-8-5/h4,9H,3H2,1-2H3
InChIKeyOSVBLQRIQVJPPM-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.52
Rot. Bonds3

About 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol

1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol (PubChem CID 103096440) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
PubChem CID103096440
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
SMILESCCC(O)c1noc(OC)n1
InChIInChI=1S/C6H10N2O3/c1-3-4(9)5-7-6(10-2)11-8-5/h4,9H,3H2,1-2H3
InChIKeyOSVBLQRIQVJPPM-UHFFFAOYSA-N
XLogP0.52
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096193
3-(1-chloroethyl)-5-methoxy-1,2,4-oxadiazole
CID 102660924
2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633601
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096225
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096126
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096353
1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096494
1-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096436
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096272
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401
1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096254

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol?
The IUPAC name of 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol (CID 103096440) is 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol is CCC(O)c1noc(OC)n1.
What is the InChIKey of 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol?
The InChIKey is OSVBLQRIQVJPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-3-4(9)5-7-6(10-2)11-8-5/h4,9H,3H2,1-2H3.
What are the key properties of 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol?
1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol has a molecular weight of 158.16 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol is sourced from PubChem (CID 103096440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).