[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

C11H9F4N3O — CID 115351030

IUPAC[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2cc(F)cc(C(F)(F)F)c2)no1
InChIInChI=1S/C11H9F4N3O/c1-5-17-10(18-19-5)9(16)6-2-7(11(13,14)15)4-8(12)3-6/h2-4,9H,16H2,1H3
InChIKeyIKXIUIPNGFOUAQ-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.58
Rot. Bonds2

About [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 115351030) has the molecular formula C11H9F4N3O and a molecular weight of 275.21 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID115351030
Molecular FormulaC11H9F4N3O
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2cc(F)cc(C(F)(F)F)c2)no1
InChIInChI=1S/C11H9F4N3O/c1-5-17-10(18-19-5)9(16)6-2-7(11(13,14)15)4-8(12)3-6/h2-4,9H,16H2,1H3
InChIKeyIKXIUIPNGFOUAQ-UHFFFAOYSA-N
XLogP2.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-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

(4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559285
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106531793
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162
(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559286
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
CID 43559249
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559308
(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171227008
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
CID 43559235
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517668

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CID 115351030) is [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is Cc1nc(C(N)c2cc(F)cc(C(F)(F)F)c2)no1.
What is the InChIKey of [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is IKXIUIPNGFOUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c1-5-17-10(18-19-5)9(16)6-2-7(11(13,14)15)4-8(12)3-6/h2-4,9H,16H2,1H3.
What are the key properties of [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 275.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 115351030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).