3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

C11H9F3N2O2 — CID 117398617

IUPAC3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(C(F)(F)F)c1-c1cc(N)on1
InChIInChI=1S/C11H9F3N2O2/c1-17-8-4-2-3-6(11(12,13)14)10(8)7-5-9(15)18-16-7/h2-5H,15H2,1H3
InChIKeyPLIUGRVTSKKLBG-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.95
Rot. Bonds2

About 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117398617) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117398617
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOc1cccc(C(F)(F)F)c1-c1cc(N)on1
InChIInChI=1S/C11H9F3N2O2/c1-17-8-4-2-3-6(11(12,13)14)10(8)7-5-9(15)18-16-7/h2-5H,15H2,1H3
InChIKeyPLIUGRVTSKKLBG-UHFFFAOYSA-N
XLogP2.95
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-4-amine
CID 68792608
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512
3-(2,7-dimethoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117428855
2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
CID 10388846
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414895
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazol-5-amine
CID 115108348
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 117398617) is 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is COc1cccc(C(F)(F)F)c1-c1cc(N)on1.
What is the InChIKey of 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is PLIUGRVTSKKLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-17-8-4-2-3-6(11(12,13)14)10(8)7-5-9(15)18-16-7/h2-5H,15H2,1H3.
What are the key properties of 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 258.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117398617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).