[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine

C9H13F3N2O2 — CID 82792898

IUPAC[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCCCC(F)(F)F)on1
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)2-1-3-15-6-8-4-7(5-13)14-16-8/h4H,1-3,5-6,13H2
InChIKeyUYYBKTRKDNYGRZ-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.99
Rot. Bonds6

About [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine

[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 82792898) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID82792898
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESNCc1cc(COCCCC(F)(F)F)on1
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)2-1-3-15-6-8-4-7(5-13)14-16-8/h4H,1-3,5-6,13H2
InChIKeyUYYBKTRKDNYGRZ-UHFFFAOYSA-N
XLogP1.99
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82792305
2-methyl-N-[[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82957332
[5-(2-pyrrolidin-1-ylethoxymethyl)-1,2-oxazol-3-yl]methanamine
CID 62459478
2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-carbohydrazide
CID 82791894
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750
1-[5-(3,3-dimethylbutoxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 66226402
2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine
CID 116519519
6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
CID 82792739
N-[[5-[3-(dimethylamino)propoxymethyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62460604
(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429

Frequently Asked Questions

What is the IUPAC name of [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine (CID 82792898) is [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine is NCc1cc(COCCCC(F)(F)F)on1.
What is the InChIKey of [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is UYYBKTRKDNYGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)2-1-3-15-6-8-4-7(5-13)14-16-8/h4H,1-3,5-6,13H2.
What are the key properties of [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine?
[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 238.21 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 82792898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).