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

C12H11F3N2O — CID 43158288

IUPAC3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-2-9-10(11(16)18-17-9)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyDLEOBQRQYQHFRE-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.51
Rot. Bonds2

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

3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 43158288) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID43158288
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESCCc1noc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-2-9-10(11(16)18-17-9)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3
InChIKeyDLEOBQRQYQHFRE-UHFFFAOYSA-N
XLogP3.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 43158288) is 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is CCc1noc(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is DLEOBQRQYQHFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-9-10(11(16)18-17-9)7-4-3-5-8(6-7)12(13,14)15/h3-6H,2,16H2,1H3.
What are the key properties of 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 256.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 43158288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).