3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

C15H22N2O2 — CID 65186776

IUPAC3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2cc(C)oc2C)o1
InChIInChI=1S/C15H22N2O2/c1-4-7-16-8-5-6-15-17-10-14(19-15)13-9-11(2)18-12(13)3/h9-10,16H,4-8H2,1-3H3
InChIKeyHYLQXMGAGNCILS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.48
Rot. Bonds7

About 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65186776) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
PubChem CID65186776
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2cc(C)oc2C)o1
InChIInChI=1S/C15H22N2O2/c1-4-7-16-8-5-6-15-17-10-14(19-15)13-9-11(2)18-12(13)3/h9-10,16H,4-8H2,1-3H3
InChIKeyHYLQXMGAGNCILS-UHFFFAOYSA-N
XLogP3.48
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (CID 65186776) is 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1ncc(-c2cc(C)oc2C)o1.
What is the InChIKey of 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is HYLQXMGAGNCILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-7-16-8-5-6-15-17-10-14(19-15)13-9-11(2)18-12(13)3/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65186776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).