N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine

C7H9F3N2O — CID 79139752

IUPACN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1ncoc1CC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-11-3-5-6(13-4-12-5)2-7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyXSFFLUWRLXOFLZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine

N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139752) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139752
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine
SMILESCNCc1ncoc1CC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-11-3-5-6(13-4-12-5)2-7(8,9)10/h4,11H,2-3H2,1H3
InChIKeyXSFFLUWRLXOFLZ-UHFFFAOYSA-N
XLogP1.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-1,3-oxazol-4-yl)methanamine
CID 57885769
4,5,6,7-Tetrahydrooxazolo(4,5-c)pyridine
CID 55263451
[5-(Trifluoromethyl)-1,3-oxazol-4-yl]methanamine hydrochloride
CID 137919901
1-(5-Methyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 72212391
4H,5H,6H,7H-(1,3)oxazolo(4,5-c)pyridine; trifluoroacetic acid
CID 131701348
1-(4-Ethyl-1,3-oxazol-5-yl)methanamine dihydrochloride
CID 165945971
(5-Ethyl-1,3-oxazol-4-yl)methanamine;hydrochloride
CID 170912231
1-Methyl-3-[2-[2-[4-(trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]thiourea
CID 20557911
2-[2-[2-[4-(Trifluoromethyl)-1,3-oxazol-5-yl]ethylamino]ethyl]guanidine
CID 20567603
1-[1-[5-(Trifluoromethyl)-1,3-oxazol-4-yl]ethyl]piperidin-4-amine
CID 117721595
2-(4,4-Difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 118297302
2-(4-Fluoro-4-phosphanylpiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethanamine
CID 134404958

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine (CID 79139752) is N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine is CNCc1ncoc1CC(F)(F)F.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is XSFFLUWRLXOFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-11-3-5-6(13-4-12-5)2-7(8,9)10/h4,11H,2-3H2,1H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine?
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 194.16 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).