3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine

C10H8ClFN2O — CID 117325883

IUPAC3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CF)cc2Cl)no1
InChIInChI=1S/C10H8ClFN2O/c11-8-3-6(5-12)1-2-7(8)9-4-10(13)15-14-9/h1-4H,5,13H2
InChIKeyVGLMCJIGXHFHHY-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.05
Rot. Bonds2

About 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine

3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117325883) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117325883
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(CF)cc2Cl)no1
InChIInChI=1S/C10H8ClFN2O/c11-8-3-6(5-12)1-2-7(8)9-4-10(13)15-14-9/h1-4H,5,13H2
InChIKeyVGLMCJIGXHFHHY-UHFFFAOYSA-N
XLogP3.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol
CID 136998708
3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117282839
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
3-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]-1,2-oxazol-5-amine
CID 117344216
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117325884
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117383350
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 117325883) is 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(CF)cc2Cl)no1.
What is the InChIKey of 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is VGLMCJIGXHFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-8-3-6(5-12)1-2-7(8)9-4-10(13)15-14-9/h1-4H,5,13H2.
What are the key properties of 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 226.64 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117325883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).