2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine

C14H27N3O2 — CID 55220903

IUPAC2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(COCCC)no1
InChIInChI=1S/C14H27N3O2/c1-5-8-15-12(7-3)11(4)14-16-13(17-19-14)10-18-9-6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyGSAHHJZDLXWNKI-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.88
Rot. Bonds10

About 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine

2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (PubChem CID 55220903) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
PubChem CID55220903
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(COCCC)no1
InChIInChI=1S/C14H27N3O2/c1-5-8-15-12(7-3)11(4)14-16-13(17-19-14)10-18-9-6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyGSAHHJZDLXWNKI-UHFFFAOYSA-N
XLogP2.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The IUPAC name of 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (CID 55220903) is 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.
What is the SMILES notation for 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The canonical SMILES for 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is CCCNC(CC)C(C)c1nc(COCCC)no1.
What is the InChIKey of 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The InChIKey is GSAHHJZDLXWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-8-15-12(7-3)11(4)14-16-13(17-19-14)10-18-9-6-2/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine has a molecular weight of 269.39 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is sourced from PubChem (CID 55220903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).