5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine

C11H11F2N3O — CID 115111734

IUPAC5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
SMILESCN(C)c1c(F)ccc(F)c1-c1cc(N)no1
InChIInChI=1S/C11H11F2N3O/c1-16(2)11-7(13)4-3-6(12)10(11)8-5-9(14)15-17-8/h3-5H,1-2H3,(H2,14,15)
InChIKeyBJJYBWAIJWKEMP-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.27
Rot. Bonds2

About 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine

5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine (PubChem CID 115111734) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
PubChem CID115111734
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
SMILESCN(C)c1c(F)ccc(F)c1-c1cc(N)no1
InChIInChI=1S/C11H11F2N3O/c1-16(2)11-7(13)4-3-6(12)10(11)8-5-9(14)15-17-8/h3-5H,1-2H3,(H2,14,15)
InChIKeyBJJYBWAIJWKEMP-UHFFFAOYSA-N
XLogP2.27
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine (CID 115111734) is 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine is CN(C)c1c(F)ccc(F)c1-c1cc(N)no1.
What is the InChIKey of 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine?
The InChIKey is BJJYBWAIJWKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16(2)11-7(13)4-3-6(12)10(11)8-5-9(14)15-17-8/h3-5H,1-2H3,(H2,14,15).
What are the key properties of 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine?
5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine has a molecular weight of 239.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 115111734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).