N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine

C9H13F3N2O — CID 79144963

IUPACN-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-13-5-7-8(15-6-14-7)3-4-9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyOYGIGYFFXKACMQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.28
Rot. Bonds5

About N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79144963) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79144963
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-2-13-5-7-8(15-6-14-7)3-4-9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyOYGIGYFFXKACMQ-UHFFFAOYSA-N
XLogP2.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 79144963) is N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1CCC(F)(F)F.
What is the InChIKey of N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is OYGIGYFFXKACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-2-13-5-7-8(15-6-14-7)3-4-9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 222.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3,3-trifluoropropyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79144963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).