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

C15H8F3N5O — CID 155585153

IUPAC5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)no2)cn1
InChIInChI=1S/C15H8F3N5O/c16-15(17,18)10-3-1-9(2-4-10)13-22-14(24-23-13)21-12-6-5-11(7-19)20-8-12/h1-6,8H,(H,21,22,23)
InChIKeyZRPJMAFQYGUANP-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.77
Rot. Bonds3

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

5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 155585153) has the molecular formula C15H8F3N5O and a molecular weight of 331.26 g/mol. Its IUPAC name is 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
PubChem CID155585153
Molecular FormulaC15H8F3N5O
Molecular Weight331.26 g/mol
Exact Mass331.07
IUPAC Name5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)no2)cn1
InChIInChI=1S/C15H8F3N5O/c16-15(17,18)10-3-1-9(2-4-10)13-22-14(24-23-13)21-12-6-5-11(7-19)20-8-12/h1-6,8H,(H,21,22,23)
InChIKeyZRPJMAFQYGUANP-UHFFFAOYSA-N
XLogP3.77
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585388
5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585270
5-[[5-[3-methyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyridine-2-carbonitrile
CID 167576295
5-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
CID 62707276
N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 122581614
5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585119
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 118730579
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686701
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile (CID 155585153) is 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)no2)cn1.
What is the InChIKey of 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is ZRPJMAFQYGUANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O/c16-15(17,18)10-3-1-9(2-4-10)13-22-14(24-23-13)21-12-6-5-11(7-19)20-8-12/h1-6,8H,(H,21,22,23).
What are the key properties of 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile?
5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 331.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).