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

C12H11F3N2O2 — CID 19596592

IUPAC2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-3-1-8(2-4-9)10-7-11(17-19-10)18-6-5-16/h1-4,7H,5-6,16H2
InChIKeyHTQKOZGMZCENOQ-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.70
Rot. Bonds4

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

2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine (PubChem CID 19596592) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine
PubChem CID19596592
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine
SMILESNCCOc1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)9-3-1-8(2-4-9)10-7-11(17-19-10)18-6-5-16/h1-4,7H,5-6,16H2
InChIKeyHTQKOZGMZCENOQ-UHFFFAOYSA-N
XLogP2.70
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-N-[2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethyl]formamide
CID 57209338
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine
CID 19596628
2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
CID 19596627
N-[2-[[5-(4-aminophenyl)-1,2-oxazol-3-yl]oxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57317114
2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
CID 163407566
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole
CID 116861865
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960
5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 45484940
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 154291859
2,6-dichloro-N-(2,6-dichlorobenzoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 13035546

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
The IUPAC name of 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine (CID 19596592) is 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
The canonical SMILES for 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine is NCCOc1cc(-c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
The InChIKey is HTQKOZGMZCENOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)9-3-1-8(2-4-9)10-7-11(17-19-10)18-6-5-16/h1-4,7H,5-6,16H2.
What are the key properties of 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine?
2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine has a molecular weight of 272.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]oxy]ethanamine is sourced from PubChem (CID 19596592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).