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

C13H12F3N3O — CID 43559769

IUPAC(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1noc(C2CC2)n1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-3-1-2-8(6-9)10(17)11-18-12(20-19-11)7-4-5-7/h1-3,6-7,10H,4-5,17H2
InChIKeyJYNMZXBZHDFTNO-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.01
Rot. Bonds3

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

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 43559769) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID43559769
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1noc(C2CC2)n1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-3-1-2-8(6-9)10(17)11-18-12(20-19-11)7-4-5-7/h1-3,6-7,10H,4-5,17H2
InChIKeyJYNMZXBZHDFTNO-UHFFFAOYSA-N
XLogP3.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)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

(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 54980431
(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559740
[4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770532
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
3-propan-2-yl-5-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121098873
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
CID 93243858
5-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2778960
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
CID 104504558
(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346630
3-[1-(2-methylphenyl)ethyl]-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 118984605

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 43559769) is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1noc(C2CC2)n1.
What is the InChIKey of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JYNMZXBZHDFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-3-1-2-8(6-9)10(17)11-18-12(20-19-11)7-4-5-7/h1-3,6-7,10H,4-5,17H2.
What are the key properties of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43559769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).