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

C20H14F3N5O — CID 24760433

IUPAC5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2nc(-c3ccc(N)nc3)no2)n1
InChIInChI=1S/C20H14F3N5O/c1-11-8-14(12-2-5-15(6-3-12)20(21,22)23)9-16(26-11)19-27-18(28-29-19)13-4-7-17(24)25-10-13/h2-10H,1H3,(H2,24,25)
InChIKeyCNSCEIPJPIXCCA-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.77
Rot. Bonds3

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

5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 24760433) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID24760433
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2nc(-c3ccc(N)nc3)no2)n1
InChIInChI=1S/C20H14F3N5O/c1-11-8-14(12-2-5-15(6-3-12)20(21,22)23)9-16(26-11)19-27-18(28-29-19)13-4-7-17(24)25-10-13/h2-10H,1H3,(H2,24,25)
InChIKeyCNSCEIPJPIXCCA-UHFFFAOYSA-N
XLogP4.77
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine with MolForge

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Related Compounds

5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-2-yl]pyridin-2-amine
CID 24760510
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]thiophen-3-yl]pyridin-2-amine
CID 24760584
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
CID 157409004
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259948
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 55257340
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 57468745
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2741597
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259997

Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 24760433) is 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2nc(-c3ccc(N)nc3)no2)n1.
What is the InChIKey of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is CNSCEIPJPIXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-11-8-14(12-2-5-15(6-3-12)20(21,22)23)9-16(26-11)19-27-18(28-29-19)13-4-7-17(24)25-10-13/h2-10H,1H3,(H2,24,25).
What are the key properties of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 397.36 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 24760433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).