5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine

C21H16F3N5O2 — CID 23644888

IUPAC5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)c1
InChIInChI=1S/C21H16F3N5O2/c22-21(23,24)31-17-3-1-2-16(12-17)27-20-29-28-19(30-20)18-13-26-11-8-15(18)5-4-14-6-9-25-10-7-14/h1-3,6-13H,4-5H2,(H,27,29)
InChIKeyHZJASZWFBBZCMA-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.95
Rot. Bonds7

About 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine

5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644888) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID23644888
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)c1
InChIInChI=1S/C21H16F3N5O2/c22-21(23,24)31-17-3-1-2-16(12-17)27-20-29-28-19(30-20)18-13-26-11-8-15(18)5-4-14-6-9-25-10-7-14/h1-3,6-13H,4-5H2,(H,27,29)
InChIKeyHZJASZWFBBZCMA-UHFFFAOYSA-N
XLogP4.95
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-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

Related Compounds

N-(benzo[d][1,3]dioxol-5-yl)-5-(2-(pyridin-4-ylmethylamino)phenyl)-1,3,4-oxadiazol-2-amine
CID 5147155
2-(2-((4-Pyridyl)methyl)aminophenyl)-5-(3,4-ethylenedioxy)phenylamino-1,3,4-oxadiazole
CID 5147157
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-N-(5-{2-[(3-pyridylmethyl)amino]phenyl}-1,3,4-oxadiazol-2-YL)amine
CID 5147158
N-[4-(propan-2-yl)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 15949471
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644858
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644860
N-(4-tert-butylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644872
N-(4-tert-butylphenyl)-5-{4-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644875
N-[4-(chlorodifluoromethoxy)phenyl]-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644877
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644878
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644879

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine (CID 23644888) is 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)Oc1cccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)c1.
What is the InChIKey of 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HZJASZWFBBZCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c22-21(23,24)31-17-3-1-2-16(12-17)27-20-29-28-19(30-20)18-13-26-11-8-15(18)5-4-14-6-9-25-10-7-14/h1-3,6-13H,4-5H2,(H,27,29).
What are the key properties of 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine?
5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 427.39 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).