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

C12H21N3O2 — CID 55048047

IUPAC3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(C2CCCCO2)n1
InChIInChI=1S/C12H21N3O2/c1-3-12(13,4-2)11-14-10(17-15-11)9-7-5-6-8-16-9/h9H,3-8,13H2,1-2H3
InChIKeyLPEDLFIHUCHJLW-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.29
Rot. Bonds4

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

3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 55048047) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID55048047
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(C2CCCCO2)n1
InChIInChI=1S/C12H21N3O2/c1-3-12(13,4-2)11-14-10(17-15-11)9-7-5-6-8-16-9/h9H,3-8,13H2,1-2H3
InChIKeyLPEDLFIHUCHJLW-UHFFFAOYSA-N
XLogP2.29
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 55048047) is 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(C2CCCCO2)n1.
What is the InChIKey of 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is LPEDLFIHUCHJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-12(13,4-2)11-14-10(17-15-11)9-7-5-6-8-16-9/h9H,3-8,13H2,1-2H3.
What are the key properties of 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 239.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 55048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).