3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

C11H19N3O3 — CID 62803868

IUPAC3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(C2COCCO2)n1
InChIInChI=1S/C11H19N3O3/c1-3-11(12,4-2)10-13-9(17-14-10)8-7-15-5-6-16-8/h8H,3-7,12H2,1-2H3
InChIKeyWZVJCBGTQASGTP-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.13
Rot. Bonds4

About 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 62803868) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID62803868
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(C2COCCO2)n1
InChIInChI=1S/C11H19N3O3/c1-3-11(12,4-2)10-13-9(17-14-10)8-7-15-5-6-16-8/h8H,3-7,12H2,1-2H3
InChIKeyWZVJCBGTQASGTP-UHFFFAOYSA-N
XLogP1.13
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 62803868) is 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(C2COCCO2)n1.
What is the InChIKey of 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is WZVJCBGTQASGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-11(12,4-2)10-13-9(17-14-10)8-7-15-5-6-16-8/h8H,3-7,12H2,1-2H3.
What are the key properties of 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 241.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 62803868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).