4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol

C11H9F3N2O3 — CID 136932498

IUPAC4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(-c2cc(N)no2)cc(C(F)(F)F)c1O
InChIInChI=1S/C11H9F3N2O3/c1-18-8-3-5(7-4-9(15)16-19-7)2-6(10(8)17)11(12,13)14/h2-4,17H,1H3,(H2,15,16)
InChIKeyCZGYTHDDMHUTRS-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.66
Rot. Bonds2

About 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol

4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol (PubChem CID 136932498) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol
PubChem CID136932498
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(-c2cc(N)no2)cc(C(F)(F)F)c1O
InChIInChI=1S/C11H9F3N2O3/c1-18-8-3-5(7-4-9(15)16-19-7)2-6(10(8)17)11(12,13)14/h2-4,17H,1H3,(H2,15,16)
InChIKeyCZGYTHDDMHUTRS-UHFFFAOYSA-N
XLogP2.66
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388329
4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol
CID 136968286
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-(trifluoromethyl)phenol
CID 136995139
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
CID 117321250
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate
CID 136942213
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol?
The IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol (CID 136932498) is 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol is COc1cc(-c2cc(N)no2)cc(C(F)(F)F)c1O.
What is the InChIKey of 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol?
The InChIKey is CZGYTHDDMHUTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-18-8-3-5(7-4-9(15)16-19-7)2-6(10(8)17)11(12,13)14/h2-4,17H,1H3,(H2,15,16).
What are the key properties of 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol?
4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol has a molecular weight of 274.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2-oxazol-5-yl)-2-methoxy-6-(trifluoromethyl)phenol is sourced from PubChem (CID 136932498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).