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

C11H10ClFN2O3 — CID 117434266

IUPAC5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(F)c(Cl)c1OC
InChIInChI=1S/C11H10ClFN2O3/c1-16-7-3-5(6-4-8(14)15-18-6)10(13)9(12)11(7)17-2/h3-4H,1-2H3,(H2,14,15)
InChIKeyWQPXSLNQMKJFFF-UHFFFAOYSA-N
MW272.66 g/mol
LogP2.73
Rot. Bonds3

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

5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117434266) has the molecular formula C11H10ClFN2O3 and a molecular weight of 272.66 g/mol. Its IUPAC name is 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117434266
Molecular FormulaC11H10ClFN2O3
Molecular Weight272.66 g/mol
Exact Mass272.04
IUPAC Name5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(F)c(Cl)c1OC
InChIInChI=1S/C11H10ClFN2O3/c1-16-7-3-5(6-4-8(14)15-18-6)10(13)9(12)11(7)17-2/h3-4H,1-2H3,(H2,14,15)
InChIKeyWQPXSLNQMKJFFF-UHFFFAOYSA-N
XLogP2.73
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine (CID 117434266) is 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine is COc1cc(-c2cc(N)no2)c(F)c(Cl)c1OC.
What is the InChIKey of 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is WQPXSLNQMKJFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3/c1-16-7-3-5(6-4-8(14)15-18-6)10(13)9(12)11(7)17-2/h3-4H,1-2H3,(H2,14,15).
What are the key properties of 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine?
5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 272.66 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117434266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).