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

C13H12N2O2S — CID 66199576

IUPAC5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2cccs2)c(C)o1
InChIInChI=1S/C13H12N2O2S/c1-7-6-9(8(2)16-7)12-11(13(14)15-17-12)10-4-3-5-18-10/h3-6H,1-2H3,(H2,14,15)
InChIKeyYKNODEDCVJGSPV-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.86
Rot. Bonds2

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

5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66199576) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66199576
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2cccs2)c(C)o1
InChIInChI=1S/C13H12N2O2S/c1-7-6-9(8(2)16-7)12-11(13(14)15-17-12)10-4-3-5-18-10/h3-6H,1-2H3,(H2,14,15)
InChIKeyYKNODEDCVJGSPV-UHFFFAOYSA-N
XLogP3.86
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66199576) is 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2-c2cccs2)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is YKNODEDCVJGSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-7-6-9(8(2)16-7)12-11(13(14)15-17-12)10-4-3-5-18-10/h3-6H,1-2H3,(H2,14,15).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 260.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).