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

C9H9ClN2O2 — CID 79555940

IUPAC4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2Cl)c(C)o1
InChIInChI=1S/C9H9ClN2O2/c1-4-3-6(5(2)13-4)8-7(10)9(11)12-14-8/h3H,1-2H3,(H2,11,12)
InChIKeyAWUGAQMBIGLLQE-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.79
Rot. Bonds1

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

4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine (PubChem CID 79555940) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine
PubChem CID79555940
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2Cl)c(C)o1
InChIInChI=1S/C9H9ClN2O2/c1-4-3-6(5(2)13-4)8-7(10)9(11)12-14-8/h3H,1-2H3,(H2,11,12)
InChIKeyAWUGAQMBIGLLQE-UHFFFAOYSA-N
XLogP2.79
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine (CID 79555940) is 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2Cl)c(C)o1.
What is the InChIKey of 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine?
The InChIKey is AWUGAQMBIGLLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-4-3-6(5(2)13-4)8-7(10)9(11)12-14-8/h3H,1-2H3,(H2,11,12).
What are the key properties of 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine?
4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine has a molecular weight of 212.64 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,5-dimethylfuran-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79555940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).