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

C11H15N3O2 — CID 61323572

IUPAC1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2cc(C)oc2C)n1
InChIInChI=1S/C11H15N3O2/c1-4-9(12)10-13-11(16-14-10)8-5-6(2)15-7(8)3/h5,9H,4,12H2,1-3H3
InChIKeyRWVQPZTUUABBDR-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.36
Rot. Bonds3

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

1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 61323572) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID61323572
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2cc(C)oc2C)n1
InChIInChI=1S/C11H15N3O2/c1-4-9(12)10-13-11(16-14-10)8-5-6(2)15-7(8)3/h5,9H,4,12H2,1-3H3
InChIKeyRWVQPZTUUABBDR-UHFFFAOYSA-N
XLogP2.36
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 61323572) is 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(-c2cc(C)oc2C)n1.
What is the InChIKey of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is RWVQPZTUUABBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-9(12)10-13-11(16-14-10)8-5-6(2)15-7(8)3/h5,9H,4,12H2,1-3H3.
What are the key properties of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 61323572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).