4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine

C11H9F3N2O — CID 66199635

IUPAC4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3N2O/c1-2-6-10(17-16-11(6)15)9-7(13)3-5(12)4-8(9)14/h3-4H,2H2,1H3,(H2,15,16)
InChIKeyNXGGTLTXPSFRAF-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.90
Rot. Bonds2

About 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine

4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199635) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine
PubChem CID66199635
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C11H9F3N2O/c1-2-6-10(17-16-11(6)15)9-7(13)3-5(12)4-8(9)14/h3-4H,2H2,1H3,(H2,15,16)
InChIKeyNXGGTLTXPSFRAF-UHFFFAOYSA-N
XLogP2.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine (CID 66199635) is 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine is CCc1c(N)noc1-c1c(F)cc(F)cc1F.
What is the InChIKey of 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is NXGGTLTXPSFRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-2-6-10(17-16-11(6)15)9-7(13)3-5(12)4-8(9)14/h3-4H,2H2,1H3,(H2,15,16).
What are the key properties of 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine?
4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 242.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2,4,6-trifluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).