2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine

C7H9F3N2O — CID 82401519

IUPAC2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(CCN)oc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4-6(7(8,9)10)13-5(12-4)2-3-11/h2-3,11H2,1H3
InChIKeyRERCABXTPTZWHH-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.50
Rot. Bonds2

About 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine

2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82401519) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82401519
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc(CCN)oc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4-6(7(8,9)10)13-5(12-4)2-3-11/h2-3,11H2,1H3
InChIKeyRERCABXTPTZWHH-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 161246247
4-methyl-5-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid
CID 82400699
2-(4-methyl-[1,3]oxazolo[5,4-c]pyridazin-6-yl)ethanamine
CID 82410081
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
2-(2-aminoethyl)-4-methyl-1,3-benzoxazin-7-one;hydrochloride
CID 67785867
2-(2-aminoethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 83384278
2-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)ethanamine
CID 82233461
2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
CID 84771378
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanamine
CID 62745948
5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-oxazole
CID 84802591
2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071124
[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine
CID 68802787

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine (CID 82401519) is 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine is Cc1nc(CCN)oc1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is RERCABXTPTZWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-6(7(8,9)10)13-5(12-4)2-3-11/h2-3,11H2,1H3.
What are the key properties of 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine?
2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 194.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82401519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).