5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

C12H11F3N2O3 — CID 117465476

IUPAC5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C12H11F3N2O3/c1-18-9-3-6(8-5-11(16)17-20-8)7(12(13,14)15)4-10(9)19-2/h3-5H,1-2H3,(H2,16,17)
InChIKeyPQIKOQRXRVFKLX-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.96
Rot. Bonds3

About 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117465476) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117465476
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(C(F)(F)F)cc1OC
InChIInChI=1S/C12H11F3N2O3/c1-18-9-3-6(8-5-11(16)17-20-8)7(12(13,14)15)4-10(9)19-2/h3-5H,1-2H3,(H2,16,17)
InChIKeyPQIKOQRXRVFKLX-UHFFFAOYSA-N
XLogP2.96
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (CID 117465476) is 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is COc1cc(-c2cc(N)no2)c(C(F)(F)F)cc1OC.
What is the InChIKey of 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is PQIKOQRXRVFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-18-9-3-6(8-5-11(16)17-20-8)7(12(13,14)15)4-10(9)19-2/h3-5H,1-2H3,(H2,16,17).
What are the key properties of 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 288.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117465476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).