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

C11H11F3N2O2 — CID 59323694

IUPAC4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(C2COC(N)=N2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-17-6-2-3-7(8(4-6)11(12,13)14)9-5-18-10(15)16-9/h2-4,9H,5H2,1H3,(H2,15,16)
InChIKeyZXWXVPUCXAXYQY-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.10
Rot. Bonds2

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

4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323694) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323694
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(C2COC(N)=N2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c1-17-6-2-3-7(8(4-6)11(12,13)14)9-5-18-10(15)16-9/h2-4,9H,5H2,1H3,(H2,15,16)
InChIKeyZXWXVPUCXAXYQY-UHFFFAOYSA-N
XLogP2.10
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323694) is 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1ccc(C2COC(N)=N2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ZXWXVPUCXAXYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-17-6-2-3-7(8(4-6)11(12,13)14)9-5-18-10(15)16-9/h2-4,9H,5H2,1H3,(H2,15,16).
What are the key properties of 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 260.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).