N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine

C7H9F3N2O2 — CID 106417961

IUPACN-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine
SMILESFC(F)(F)OCCNCc1ccno1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)13-4-3-11-5-6-1-2-12-14-6/h1-2,11H,3-5H2
InChIKeyRPAOBNKVWWVUNZ-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.30
Rot. Bonds5

About N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine

N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine (PubChem CID 106417961) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine
PubChem CID106417961
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine
SMILESFC(F)(F)OCCNCc1ccno1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)13-4-3-11-5-6-1-2-12-14-6/h1-2,11H,3-5H2
InChIKeyRPAOBNKVWWVUNZ-UHFFFAOYSA-N
XLogP1.30
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.30
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

2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
N-(1,2-oxazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106415508
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
CID 106415669
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106416942
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106417404

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine (CID 106417961) is N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine is FC(F)(F)OCCNCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine?
The InChIKey is RPAOBNKVWWVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)13-4-3-11-5-6-1-2-12-14-6/h1-2,11H,3-5H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine?
N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine has a molecular weight of 210.15 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 106417961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).