3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol

C10H8F2N2O3 — CID 117356932

IUPAC3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
SMILESCOc1cc(-c2cc(N)on2)c(F)c(O)c1F
InChIInChI=1S/C10H8F2N2O3/c1-16-6-2-4(5-3-7(13)17-14-5)8(11)10(15)9(6)12/h2-3,15H,13H2,1H3
InChIKeyUUZQJQZFENHTRV-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.92
Rot. Bonds2

About 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol

3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol (PubChem CID 117356932) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
PubChem CID117356932
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
SMILESCOc1cc(-c2cc(N)on2)c(F)c(O)c1F
InChIInChI=1S/C10H8F2N2O3/c1-16-6-2-4(5-3-7(13)17-14-5)8(11)10(15)9(6)12/h2-3,15H,13H2,1H3
InChIKeyUUZQJQZFENHTRV-UHFFFAOYSA-N
XLogP1.92
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963436
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol?
The IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol (CID 117356932) is 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol is COc1cc(-c2cc(N)on2)c(F)c(O)c1F.
What is the InChIKey of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol?
The InChIKey is UUZQJQZFENHTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-16-6-2-4(5-3-7(13)17-14-5)8(11)10(15)9(6)12/h2-3,15H,13H2,1H3.
What are the key properties of 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol?
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol has a molecular weight of 242.18 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol is sourced from PubChem (CID 117356932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).