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

C11H19N3O2 — CID 63014392

IUPAC2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)C(N)c1noc(C2CCCOC2)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)9(12)10-13-11(16-14-10)8-4-3-5-15-6-8/h7-9H,3-6,12H2,1-2H3
InChIKeyAKBKYFDYHSDFOB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds3

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

2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 63014392) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID63014392
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)C(N)c1noc(C2CCCOC2)n1
InChIInChI=1S/C11H19N3O2/c1-7(2)9(12)10-13-11(16-14-10)8-4-3-5-15-6-8/h7-9H,3-6,12H2,1-2H3
InChIKeyAKBKYFDYHSDFOB-UHFFFAOYSA-N
XLogP1.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 63014392) is 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(C)C(N)c1noc(C2CCCOC2)n1.
What is the InChIKey of 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is AKBKYFDYHSDFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)9(12)10-13-11(16-14-10)8-4-3-5-15-6-8/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 63014392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).