5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine

C11H11FN2O3 — CID 117348486

IUPAC5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(F)ccc(-c2cc(N)no2)c1OC
InChIInChI=1S/C11H11FN2O3/c1-15-10-6(8-5-9(13)14-17-8)3-4-7(12)11(10)16-2/h3-5H,1-2H3,(H2,13,14)
InChIKeySPUSHERXLHGZNZ-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.08
Rot. Bonds3

About 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine

5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117348486) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117348486
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(F)ccc(-c2cc(N)no2)c1OC
InChIInChI=1S/C11H11FN2O3/c1-15-10-6(8-5-9(13)14-17-8)3-4-7(12)11(10)16-2/h3-5H,1-2H3,(H2,13,14)
InChIKeySPUSHERXLHGZNZ-UHFFFAOYSA-N
XLogP2.08
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine (CID 117348486) is 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine is COc1c(F)ccc(-c2cc(N)no2)c1OC.
What is the InChIKey of 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is SPUSHERXLHGZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-15-10-6(8-5-9(13)14-17-8)3-4-7(12)11(10)16-2/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 238.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117348486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).