1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C10H18N2O3 — CID 79197851

IUPAC1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C(C)(C)OC)no1
InChIInChI=1S/C10H18N2O3/c1-5-7(13)6-8-11-9(12-15-8)10(2,3)14-4/h7,13H,5-6H2,1-4H3
InChIKeyABGGAOGIJJZHJU-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.26
Rot. Bonds5

About 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 79197851) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID79197851
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C(C)(C)OC)no1
InChIInChI=1S/C10H18N2O3/c1-5-7(13)6-8-11-9(12-15-8)10(2,3)14-4/h7,13H,5-6H2,1-4H3
InChIKeyABGGAOGIJJZHJU-UHFFFAOYSA-N
XLogP1.26
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 79197851) is 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CCC(O)Cc1nc(C(C)(C)OC)no1.
What is the InChIKey of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is ABGGAOGIJJZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-7(13)6-8-11-9(12-15-8)10(2,3)14-4/h7,13H,5-6H2,1-4H3.
What are the key properties of 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 214.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 79197851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).