5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile

C15H8F3N5O2 — CID 155585388

IUPAC5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cn1
InChIInChI=1S/C15H8F3N5O2/c16-15(17,18)24-12-5-1-9(2-6-12)13-22-14(25-23-13)21-11-4-3-10(7-19)20-8-11/h1-6,8H,(H,21,22,23)
InChIKeyBCINTYFIDNJTKR-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.65
Rot. Bonds4

About 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile

5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 155585388) has the molecular formula C15H8F3N5O2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
PubChem CID155585388
Molecular FormulaC15H8F3N5O2
Molecular Weight347.26 g/mol
Exact Mass347.06
IUPAC Name5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cn1
InChIInChI=1S/C15H8F3N5O2/c16-15(17,18)24-12-5-1-9(2-6-12)13-22-14(25-23-13)21-11-4-3-10(7-19)20-8-11/h1-6,8H,(H,21,22,23)
InChIKeyBCINTYFIDNJTKR-UHFFFAOYSA-N
XLogP3.65
TPSA96.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585153
5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585270
ethane;N'-hydroxy-5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carboximidamide
CID 155585292
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686701
3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
CID 2744635
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile
CID 167576295
3-[4-(trifluoromethoxy)anilino]-4-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155191876
4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 135372726
(2S)-2-(methylamino)-2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 145159612
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46321383
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (CID 155585388) is 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cn1.
What is the InChIKey of 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is BCINTYFIDNJTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O2/c16-15(17,18)24-12-5-1-9(2-6-12)13-22-14(25-23-13)21-11-4-3-10(7-19)20-8-11/h1-6,8H,(H,21,22,23).
What are the key properties of 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 347.26 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155585388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).