2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol

C10H9FN2O2 — CID 136998708

IUPAC2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol
SMILESNc1cc(-c2cc(CF)ccc2O)no1
InChIInChI=1S/C10H9FN2O2/c11-5-6-1-2-9(14)7(3-6)8-4-10(12)15-13-8/h1-4,14H,5,12H2
InChIKeyPCLROTBRUZYGBW-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.10
Rot. Bonds2

About 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol

2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol (PubChem CID 136998708) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol
PubChem CID136998708
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol
SMILESNc1cc(-c2cc(CF)ccc2O)no1
InChIInChI=1S/C10H9FN2O2/c11-5-6-1-2-9(14)7(3-6)8-4-10(12)15-13-8/h1-4,14H,5,12H2
InChIKeyPCLROTBRUZYGBW-UHFFFAOYSA-N
XLogP2.10
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117325883
3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117282839
2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
CID 136998676
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
3-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]-1,2-oxazol-5-amine
CID 117344216
2-(5-amino-1,2-oxazol-3-yl)-4-morpholin-4-ylphenol
CID 136963478
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
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
6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol (CID 136998708) is 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol is Nc1cc(-c2cc(CF)ccc2O)no1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol?
The InChIKey is PCLROTBRUZYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-5-6-1-2-9(14)7(3-6)8-4-10(12)15-13-8/h1-4,14H,5,12H2.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol?
2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol has a molecular weight of 208.19 g/mol, XLogP of 2.10, 2 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)-4-(fluoromethyl)phenol is sourced from PubChem (CID 136998708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).