5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine

C13H18N2O2 — CID 66198057

IUPAC5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2CC(C)C)c(C)o1
InChIInChI=1S/C13H18N2O2/c1-7(2)5-11-12(17-15-13(11)14)10-6-8(3)16-9(10)4/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyZAHKZSCSCHYFFZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.33
Rot. Bonds3

About 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine

5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66198057) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66198057
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2CC(C)C)c(C)o1
InChIInChI=1S/C13H18N2O2/c1-7(2)5-11-12(17-15-13(11)14)10-6-8(3)16-9(10)4/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyZAHKZSCSCHYFFZ-UHFFFAOYSA-N
XLogP3.33
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66198057) is 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2CC(C)C)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is ZAHKZSCSCHYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7(2)5-11-12(17-15-13(11)14)10-6-8(3)16-9(10)4/h6-7H,5H2,1-4H3,(H2,14,15).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 234.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).