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

C10H18N2O3 — CID 79198201

IUPAC3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCOC(C)(C)c1noc(C(C)C(C)O)n1
InChIInChI=1S/C10H18N2O3/c1-6(7(2)13)8-11-9(12-15-8)10(3,4)14-5/h6-7,13H,1-5H3
InChIKeyKLFDYTNLMYNELV-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.44
Rot. Bonds4

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

3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 79198201) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID79198201
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCOC(C)(C)c1noc(C(C)C(C)O)n1
InChIInChI=1S/C10H18N2O3/c1-6(7(2)13)8-11-9(12-15-8)10(3,4)14-5/h6-7,13H,1-5H3
InChIKeyKLFDYTNLMYNELV-UHFFFAOYSA-N
XLogP1.44
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 79198201) is 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is COC(C)(C)c1noc(C(C)C(C)O)n1.
What is the InChIKey of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is KLFDYTNLMYNELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(7(2)13)8-11-9(12-15-8)10(3,4)14-5/h6-7,13H,1-5H3.
What are the key properties of 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
3-[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 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 79198201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).