[2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine

C7H9F3N2O — CID 127017238

IUPAC[2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
SMILESCCc1nc(C(F)(F)F)c(CN)o1
InChIInChI=1S/C7H9F3N2O/c1-2-5-12-6(7(8,9)10)4(3-11)13-5/h2-3,11H2,1H3
InChIKeyPBEFUTSHYAZOFA-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.71
Rot. Bonds2

About [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine

[2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 127017238) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
PubChem CID127017238
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
SMILESCCc1nc(C(F)(F)F)c(CN)o1
InChIInChI=1S/C7H9F3N2O/c1-2-5-12-6(7(8,9)10)4(3-11)13-5/h2-3,11H2,1H3
InChIKeyPBEFUTSHYAZOFA-UHFFFAOYSA-N
XLogP1.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine (CID 127017238) is [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine is CCc1nc(C(F)(F)F)c(CN)o1.
What is the InChIKey of [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is PBEFUTSHYAZOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-5-12-6(7(8,9)10)4(3-11)13-5/h2-3,11H2,1H3.
What are the key properties of [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
[2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 194.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 127017238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).