3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol

C11H16N2O3 — CID 79200548

IUPAC3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(C2CC3CCC2O3)no1
InChIInChI=1S/C11H16N2O3/c14-5-1-2-10-12-11(13-16-10)8-6-7-3-4-9(8)15-7/h7-9,14H,1-6H2
InChIKeyPFBABTUFJBENCY-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.03
Rot. Bonds4

About 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol

3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79200548) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79200548
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(C2CC3CCC2O3)no1
InChIInChI=1S/C11H16N2O3/c14-5-1-2-10-12-11(13-16-10)8-6-7-3-4-9(8)15-7/h7-9,14H,1-6H2
InChIKeyPFBABTUFJBENCY-UHFFFAOYSA-N
XLogP1.03
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79200548) is 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is OCCCc1nc(C2CC3CCC2O3)no1.
What is the InChIKey of 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is PFBABTUFJBENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-5-1-2-10-12-11(13-16-10)8-6-7-3-4-9(8)15-7/h7-9,14H,1-6H2.
What are the key properties of 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 224.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79200548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).