[3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine

C11H9F3N2O — CID 115044579

IUPAC[3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine
SMILESNCc1cccc(-c2coc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-16-9(6-17-10)8-3-1-2-7(4-8)5-15/h1-4,6H,5,15H2
InChIKeyCWBQUFPLSFAMRB-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.82
Rot. Bonds2

About [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine

[3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine (PubChem CID 115044579) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine
PubChem CID115044579
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name[3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine
SMILESNCc1cccc(-c2coc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-16-9(6-17-10)8-3-1-2-7(4-8)5-15/h1-4,6H,5,15H2
InChIKeyCWBQUFPLSFAMRB-UHFFFAOYSA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]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

[3-(2-phenyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115046706
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 123768629
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 81455778
[2-(trifluoromethyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357482
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
CID 84734776
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
[3-(2-benzofuran-4-yl)phenyl]methanamine
CID 175083312

Frequently Asked Questions

What is the IUPAC name of [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine?
The IUPAC name of [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine (CID 115044579) is [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine?
The canonical SMILES for [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine is NCc1cccc(-c2coc(C(F)(F)F)n2)c1.
What is the InChIKey of [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine?
The InChIKey is CWBQUFPLSFAMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-16-9(6-17-10)8-3-1-2-7(4-8)5-15/h1-4,6H,5,15H2.
What are the key properties of [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine?
[3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine has a molecular weight of 242.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 115044579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).