2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol

C10H9FN2O3 — CID 136968465

IUPAC2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
SMILESCOc1cc(-c2cc(N)on2)c(O)cc1F
InChIInChI=1S/C10H9FN2O3/c1-15-9-2-5(8(14)3-6(9)11)7-4-10(12)16-13-7/h2-4,14H,12H2,1H3
InChIKeyYTSZUNMFRHLHJK-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol

2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol (PubChem CID 136968465) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
PubChem CID136968465
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
SMILESCOc1cc(-c2cc(N)on2)c(O)cc1F
InChIInChI=1S/C10H9FN2O3/c1-15-9-2-5(8(14)3-6(9)11)7-4-10(12)16-13-7/h2-4,14H,12H2,1H3
InChIKeyYTSZUNMFRHLHJK-UHFFFAOYSA-N
XLogP1.78
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methoxyphenyl)-1,2-oxazol-5-amine
CID 4361134
3-(3,5-Dimethoxyphenyl)-5-isoxazolamine
CID 18526075
2-(5-Aminoisoxazol-3-yl)phenol
CID 135743706
3-(2,5-Dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 776499
5-(5-Amino-1,2-oxazol-3-yl)-2-fluorophenol
CID 170356651
2-[5-Amino-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]acetic acid
CID 174703283
3-(5-Amino-1,2-oxazol-3-yl)-2-fluorophenol
CID 175967763
3-(2-Ethoxyphenyl)-1,2-oxazol-5-amine
CID 4267526
5-Amino-3-(2-hydroxy-3-methoxyphenyl)isoxazole-4-carbonitrile
CID 137310047
3-(3-Fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 3351963
3-(5-Fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 3551194
3-(5-Fluoro-2-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3776332

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol (CID 136968465) is 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol is COc1cc(-c2cc(N)on2)c(O)cc1F.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol?
The InChIKey is YTSZUNMFRHLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-15-9-2-5(8(14)3-6(9)11)7-4-10(12)16-13-7/h2-4,14H,12H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol?
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol has a molecular weight of 224.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol is sourced from PubChem (CID 136968465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).