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

C16H10F3N5O — CID 167576295

IUPAC5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile
SMILESCc1cc(-c2nnc(Nc3ccc(C#N)nc3)o2)ccc1C(F)(F)F
InChIInChI=1S/C16H10F3N5O/c1-9-6-10(2-5-13(9)16(17,18)19)14-23-24-15(25-14)22-12-4-3-11(7-20)21-8-12/h2-6,8H,1H3,(H,22,24)
InChIKeyCPJZXHOQKRFSNP-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.07
Rot. Bonds3

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

5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 167576295) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID167576295
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile
SMILESCc1cc(-c2nnc(Nc3ccc(C#N)nc3)o2)ccc1C(F)(F)F
InChIInChI=1S/C16H10F3N5O/c1-9-6-10(2-5-13(9)16(17,18)19)14-23-24-15(25-14)22-12-4-3-11(7-20)21-8-12/h2-6,8H,1H3,(H,22,24)
InChIKeyCPJZXHOQKRFSNP-UHFFFAOYSA-N
XLogP4.07
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585153
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184445
5-[3-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184446
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739
5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585388
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
5-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818919
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
ethane;3-methyl-4-(trifluoromethyl)benzonitrile
CID 143320070
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585119

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile (CID 167576295) is 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile is Cc1cc(-c2nnc(Nc3ccc(C#N)nc3)o2)ccc1C(F)(F)F.
What is the InChIKey of 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is CPJZXHOQKRFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c1-9-6-10(2-5-13(9)16(17,18)19)14-23-24-15(25-14)22-12-4-3-11(7-20)21-8-12/h2-6,8H,1H3,(H,22,24).
What are the key properties of 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile?
5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 345.28 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 167576295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).