3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

C11H11F3N2O2 — CID 90880431

IUPAC3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESNCc1ccc(C2=CC(O)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10(17)5-9(16-18-10)8-3-1-7(6-15)2-4-8/h1-5,16-17H,6,15H2
InChIKeyCIJOWOJNLFMTAS-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.27
Rot. Bonds2

About 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 90880431) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID90880431
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESNCc1ccc(C2=CC(O)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10(17)5-9(16-18-10)8-3-1-7(6-15)2-4-8/h1-5,16-17H,6,15H2
InChIKeyCIJOWOJNLFMTAS-UHFFFAOYSA-N
XLogP1.27
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 91399879
2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118395946
2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583978
ethane;(4-fluorophenyl)methanamine
CID 142071105
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
[4-[chloro(dimethyl)silyl]phenyl]methanamine
CID 150140052
[4-(3,3,3-trifluoropropyl)phenyl]methanamine
CID 126844791
[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 61392982
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
CID 102721796
3-[4-(aminomethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole-5-carbaldehyde
CID 174463067
(4-ethylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 70207197

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 90880431) is 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is NCc1ccc(C2=CC(O)(C(F)(F)F)ON2)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is CIJOWOJNLFMTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)10(17)5-9(16-18-10)8-3-1-7(6-15)2-4-8/h1-5,16-17H,6,15H2.
What are the key properties of 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 260.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 90880431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).