N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine

C8H11F3N2O — CID 166789291

IUPACN-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1ocnc1CNCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-7-6(13-5-14-7)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3
InChIKeySFOYKKSLBBZDSD-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.89
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 166789291) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID166789291
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1ocnc1CNCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-7-6(13-5-14-7)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3
InChIKeySFOYKKSLBBZDSD-UHFFFAOYSA-N
XLogP1.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydrooxazolo(4,5-c)pyridine
CID 55263451
[5-(Trifluoromethyl)-1,3-oxazol-4-yl]methanamine hydrochloride
CID 137919901
4H,5H,6H,7H-(1,3)oxazolo(4,5-c)pyridine; trifluoroacetic acid
CID 131701348
1-(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)acetonitrile
CID 118297276
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
N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 166789290
4-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 170071709

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine (CID 166789291) is N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine is CCc1ocnc1CNCC(F)(F)F.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is SFOYKKSLBBZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-7-6(13-5-14-7)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 208.18 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 166789291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).