[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine

C9H7F3N2O2 — CID 118814572

IUPAC[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
SMILESNCc1nc2cccc(OC(F)(F)F)c2o1
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)16-6-3-1-2-5-8(6)15-7(4-13)14-5/h1-3H,4,13H2
InChIKeyPDCAYZMSUHIKJF-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.19
Rot. Bonds2

About [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine

[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine (PubChem CID 118814572) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine.

Molecular Properties

Compound Name[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
PubChem CID118814572
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
SMILESNCc1nc2cccc(OC(F)(F)F)c2o1
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)16-6-3-1-2-5-8(6)15-7(4-13)14-5/h1-3H,4,13H2
InChIKeyPDCAYZMSUHIKJF-UHFFFAOYSA-N
XLogP2.19
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
5-(trifluoromethoxy)quinolin-2-amine
CID 125425664
5-(trifluoromethoxy)quinazolin-2-amine
CID 162341895
ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole
CID 142140650
[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
CID 84686693
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate
CID 68637594
2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 175481308
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493
2-(hydroxymethyl)-1,3-benzoxazol-7-ol
CID 130894821

Frequently Asked Questions

What is the IUPAC name of [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine?
The IUPAC name of [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine (CID 118814572) is [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine.
What is the SMILES notation for [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine?
The canonical SMILES for [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine is NCc1nc2cccc(OC(F)(F)F)c2o1.
What is the InChIKey of [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine?
The InChIKey is PDCAYZMSUHIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)16-6-3-1-2-5-8(6)15-7(4-13)14-5/h1-3H,4,13H2.
What are the key properties of [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine?
[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine has a molecular weight of 232.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine is sourced from PubChem (CID 118814572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).