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

C10H8F4N2O — CID 115351336

IUPAC4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cc(F)cc(C(F)(F)F)c2)CO1
InChIInChI=1S/C10H8F4N2O/c11-7-2-5(8-4-17-9(15)16-8)1-6(3-7)10(12,13)14/h1-3,8H,4H2,(H2,15,16)
InChIKeyAAOBGOJGJZRSBL-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.23
Rot. Bonds1

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

4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 115351336) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID115351336
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC Name4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cc(F)cc(C(F)(F)F)c2)CO1
InChIInChI=1S/C10H8F4N2O/c11-7-2-5(8-4-17-9(15)16-8)1-6(3-7)10(12,13)14/h1-3,8H,4H2,(H2,15,16)
InChIKeyAAOBGOJGJZRSBL-UHFFFAOYSA-N
XLogP2.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 115351336) is 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(c2cc(F)cc(C(F)(F)F)c2)CO1.
What is the InChIKey of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is AAOBGOJGJZRSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c11-7-2-5(8-4-17-9(15)16-8)1-6(3-7)10(12,13)14/h1-3,8H,4H2,(H2,15,16).
What are the key properties of 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 248.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 115351336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).