N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine

C16H13F3N4O — CID 152734484

IUPACN-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine
SMILESCCNc1cccc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C16H13F3N4O/c1-2-20-13-5-3-4-12(21-13)10-6-8-11(9-7-10)14-22-15(24-23-14)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
InChIKeyZYHSEMZSDSGIRQ-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.25
Rot. Bonds4

About N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine

N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine (PubChem CID 152734484) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine
PubChem CID152734484
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine
SMILESCCNc1cccc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C16H13F3N4O/c1-2-20-13-5-3-4-12(21-13)10-6-8-11(9-7-10)14-22-15(24-23-14)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
InChIKeyZYHSEMZSDSGIRQ-UHFFFAOYSA-N
XLogP4.25
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]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

Related Compounds

6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine
CID 71569459
3-(4-tert-butylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370360
N-ethyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62817614
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
3-[(4-methoxyphenyl)methylamino]-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155708382
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524
N-[2-oxo-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 155192602
N,2-dimethyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146270650
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
N-[1-methoxy-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]propanamide
CID 140911369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine (CID 152734484) is N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine is CCNc1cccc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1.
What is the InChIKey of N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine?
The InChIKey is ZYHSEMZSDSGIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-2-20-13-5-3-4-12(21-13)10-6-8-11(9-7-10)14-22-15(24-23-14)16(17,18)19/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine?
N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine has a molecular weight of 334.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 152734484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).