N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine

C9H13F3N2O — CID 83959835

IUPACN-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(C(F)(F)F)no1
InChIInChI=1S/C9H13F3N2O/c1-3-14(4-2)6-7-5-8(13-15-7)9(10,11)12/h5H,3-4,6H2,1-2H3
InChIKeyRZBXPHPYYVAZQE-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.54
Rot. Bonds4

About N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine

N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine (PubChem CID 83959835) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine
PubChem CID83959835
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(C(F)(F)F)no1
InChIInChI=1S/C9H13F3N2O/c1-3-14(4-2)6-7-5-8(13-15-7)9(10,11)12/h5H,3-4,6H2,1-2H3
InChIKeyRZBXPHPYYVAZQE-UHFFFAOYSA-N
XLogP2.54
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole
CID 119380
(3-Methylisoxazol-5-yl)methanamine
CID 16481072
(R)-3-Methyl-5-(1-methylpyrrolidin-2-yl)isoxazole
CID 9859069
1,1,1-Trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
CID 2738631
5-[(2R)-1-methylpyrrolidin-2-yl]-3-(trifluoromethyl)-1,2-oxazole
CID 44358918
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
((2S,4S)-4-fluoro-1-((3-methyl-1,2-oxazol-5-yl)methyl)pyrrolidin-2-yl)methanamine
CID 119030869
5-[(Dimethylamino)methyl]-1,2-oxazole-3-carbaldehyde
CID 20099055
Methyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine hydrochloride
CID 45595353
(3-Methyl-1,2-oxazol-5-yl)methanamine hydrochloride
CID 45792534
5-(Isocyanatomethyl)-3-methyl-1,2-oxazole
CID 59567456
1-[3-(Trifluoromethyl)-1,2-oxazol-5-yl]methanamine hydrochloride
CID 66687415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine (CID 83959835) is N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine is CCN(CC)Cc1cc(C(F)(F)F)no1.
What is the InChIKey of N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
The InChIKey is RZBXPHPYYVAZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-3-14(4-2)6-7-5-8(13-15-7)9(10,11)12/h5H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine?
N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine has a molecular weight of 222.21 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 83959835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).