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

C13H13F3N2O — CID 106224091

IUPAC1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C13H13F3N2O/c1-2-10(17)12-7-11(18-19-12)8-3-5-9(6-4-8)13(14,15)16/h3-7,10H,2,17H2,1H3
InChIKeyBHLUKPODXBOZTJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.77
Rot. Bonds3

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

1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 106224091) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
PubChem CID106224091
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C13H13F3N2O/c1-2-10(17)12-7-11(18-19-12)8-3-5-9(6-4-8)13(14,15)16/h3-7,10H,2,17H2,1H3
InChIKeyBHLUKPODXBOZTJ-UHFFFAOYSA-N
XLogP3.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine (CID 106224091) is 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is BHLUKPODXBOZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-2-10(17)12-7-11(18-19-12)8-3-5-9(6-4-8)13(14,15)16/h3-7,10H,2,17H2,1H3.
What are the key properties of 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine?
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 270.25 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 106224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).