[5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine

C12H13F3N2O3 — CID 90285361

IUPAC[5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
SMILESNCC1=NOC(COc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)19-10-3-1-9(2-4-10)18-7-11-5-8(6-16)17-20-11/h1-4,11H,5-7,16H2
InChIKeyROMMAXABBMJOKM-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.07
Rot. Bonds5

About [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine

[5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine (PubChem CID 90285361) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
PubChem CID90285361
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name[5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
SMILESNCC1=NOC(COc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)19-10-3-1-9(2-4-10)18-7-11-5-8(6-16)17-20-11/h1-4,11H,5-7,16H2
InChIKeyROMMAXABBMJOKM-UHFFFAOYSA-N
XLogP2.07
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(6-methyl-3-pyridinyl)oxymethyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 118679340
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71133733
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 98324504
[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 90285357
4-[2-[[3-(aminomethyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]phenyl]benzamide
CID 90286292
5-[4-(trifluoromethoxy)phenoxy]pentan-1-amine
CID 113497382
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
(2R)-5-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 127032756
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
2-tert-butyl-2-[[4-(trifluoromethoxy)phenoxy]methyl]oxirane
CID 86112791

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine (CID 90285361) is [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine is NCC1=NOC(COc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The InChIKey is ROMMAXABBMJOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)19-10-3-1-9(2-4-10)18-7-11-5-8(6-16)17-20-11/h1-4,11H,5-7,16H2.
What are the key properties of [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
[5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine has a molecular weight of 290.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(trifluoromethoxy)phenoxy]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 90285361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).