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

C10H9F3N2O2 — CID 59323743

IUPAC4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cccc(OC(F)(F)F)c2)CO1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyYOGVAZAHJULYJG-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.97
Rot. Bonds2

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

4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323743) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323743
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cccc(OC(F)(F)F)c2)CO1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyYOGVAZAHJULYJG-UHFFFAOYSA-N
XLogP1.97
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 59323743) is 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(c2cccc(OC(F)(F)F)c2)CO1.
What is the InChIKey of 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YOGVAZAHJULYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)17-7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15).
What are the key properties of 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 246.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).