3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C12H10ClF3N4O — CID 71940000

IUPAC3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2nc(C3CC3)no2)c(Cl)c1
InChIInChI=1S/C12H10ClF3N4O/c13-8-3-7(12(14,15)16)4-17-11(8)18-5-9-19-10(20-21-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyBLRAWTCCWCHESD-UHFFFAOYSA-N
MW318.69 g/mol
LogP3.63
Rot. Bonds4

About 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 71940000) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID71940000
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC Name3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2nc(C3CC3)no2)c(Cl)c1
InChIInChI=1S/C12H10ClF3N4O/c13-8-3-7(12(14,15)16)4-17-11(8)18-5-9-19-10(20-21-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,17,18)
InChIKeyBLRAWTCCWCHESD-UHFFFAOYSA-N
XLogP3.63
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 71940000) is 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2nc(C3CC3)no2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BLRAWTCCWCHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c13-8-3-7(12(14,15)16)4-17-11(8)18-5-9-19-10(20-21-9)6-1-2-6/h3-4,6H,1-2,5H2,(H,17,18).
What are the key properties of 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 318.69 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71940000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).