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

C11H15N3O2 — CID 62070769

IUPAC3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCc1cc(-c2nnc(CCCN)o2)c(C)o1
InChIInChI=1S/C11H15N3O2/c1-7-6-9(8(2)15-7)11-14-13-10(16-11)4-3-5-12/h6H,3-5,12H2,1-2H3
InChIKeyLTHZIFFECMASCL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.84
Rot. Bonds4

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

3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62070769) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62070769
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCc1cc(-c2nnc(CCCN)o2)c(C)o1
InChIInChI=1S/C11H15N3O2/c1-7-6-9(8(2)15-7)11-14-13-10(16-11)4-3-5-12/h6H,3-5,12H2,1-2H3
InChIKeyLTHZIFFECMASCL-UHFFFAOYSA-N
XLogP1.84
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62070769) is 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is Cc1cc(-c2nnc(CCCN)o2)c(C)o1.
What is the InChIKey of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is LTHZIFFECMASCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-6-9(8(2)15-7)11-14-13-10(16-11)4-3-5-12/h6H,3-5,12H2,1-2H3.
What are the key properties of 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).