2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol

C10H8ClFN2O2 — CID 136952346

IUPAC2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Cl)c(O)c1-c1cc(N)on1
InChIInChI=1S/C10H8ClFN2O2/c1-4-6(12)2-5(11)10(15)9(4)7-3-8(13)16-14-7/h2-3,15H,13H2,1H3
InChIKeyVQMZILHRAGRAOR-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.73
Rot. Bonds1

About 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol

2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol (PubChem CID 136952346) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
PubChem CID136952346
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
SMILESCc1c(F)cc(Cl)c(O)c1-c1cc(N)on1
InChIInChI=1S/C10H8ClFN2O2/c1-4-6(12)2-5(11)10(15)9(4)7-3-8(13)16-14-7/h2-3,15H,13H2,1H3
InChIKeyVQMZILHRAGRAOR-UHFFFAOYSA-N
XLogP2.73
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
CID 137011592
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325893
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136992021
2-(5-amino-1,2-oxazol-3-yl)-6-fluoro-4-methylphenol
CID 136998714
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
CID 136942355
2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
CID 136966354

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol (CID 136952346) is 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol is Cc1c(F)cc(Cl)c(O)c1-c1cc(N)on1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol?
The InChIKey is VQMZILHRAGRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-4-6(12)2-5(11)10(15)9(4)7-3-8(13)16-14-7/h2-3,15H,13H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol?
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol has a molecular weight of 242.64 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol is sourced from PubChem (CID 136952346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).