5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine

C10H8ClFN2O — CID 117325876

IUPAC5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(Cl)c(-c2cc(N)no2)c1F
InChIInChI=1S/C10H8ClFN2O/c1-5-2-3-6(11)9(10(5)12)7-4-8(13)14-15-7/h2-4H,1H3,(H2,13,14)
InChIKeyWJIZFQQONLTABT-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.02
Rot. Bonds1

About 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine

5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117325876) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117325876
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(Cl)c(-c2cc(N)no2)c1F
InChIInChI=1S/C10H8ClFN2O/c1-5-2-3-6(11)9(10(5)12)7-4-8(13)14-15-7/h2-4H,1H3,(H2,13,14)
InChIKeyWJIZFQQONLTABT-UHFFFAOYSA-N
XLogP3.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117349806
3-(3-amino-1,2-oxazol-5-yl)-5-chloro-4-fluorobenzene-1,2-diol
CID 137011505
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
5-(5-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349708
5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
CID 115111734
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine (CID 117325876) is 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(Cl)c(-c2cc(N)no2)c1F.
What is the InChIKey of 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is WJIZFQQONLTABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5-2-3-6(11)9(10(5)12)7-4-8(13)14-15-7/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 226.64 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117325876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).