(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine

C12H12F3N3O2 — CID 43559371

IUPAC(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1nc(C(N)c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C12H12F3N3O2/c1-2-9-17-11(18-20-9)10(16)7-5-3-4-6-8(7)19-12(13,14)15/h3-6,10H,2,16H2,1H3
InChIKeyQVZBIYRXPSQTRO-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.58
Rot. Bonds4

About (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine

(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 43559371) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID43559371
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1nc(C(N)c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C12H12F3N3O2/c1-2-9-17-11(18-20-9)10(16)7-5-3-4-6-8(7)19-12(13,14)15/h3-6,10H,2,16H2,1H3
InChIKeyQVZBIYRXPSQTRO-UHFFFAOYSA-N
XLogP2.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)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

(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 43559370
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65101203
tert-butyl N-[(R)-[5-(4-amino-4-oxobutyl)-1,2,4-oxadiazol-3-yl]-[2-(trifluoromethoxy)phenyl]methyl]carbamate
CID 124848937
tert-butyl N-[(S)-[5-(4-amino-4-oxobutyl)-1,2,4-oxadiazol-3-yl]-[2-(trifluoromethoxy)phenyl]methyl]carbamate
CID 124848936
(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 61494511
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115530155
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 63647944
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850885

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 43559371) is (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine is CCc1nc(C(N)c2ccccc2OC(F)(F)F)no1.
What is the InChIKey of (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is QVZBIYRXPSQTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-2-9-17-11(18-20-9)10(16)7-5-3-4-6-8(7)19-12(13,14)15/h3-6,10H,2,16H2,1H3.
What are the key properties of (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 287.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 43559371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).