3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C17H10ClF3N6O — CID 139546541

IUPAC3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(Cn3cc(-c4ccc(Cl)cc4)nn3)nc2)no1
InChIInChI=1S/C17H10ClF3N6O/c18-12-4-1-10(2-5-12)14-9-27(26-24-14)8-13-6-3-11(7-22-13)15-23-16(28-25-15)17(19,20)21/h1-7,9H,8H2
InChIKeyAKUOWFJVNVEIMI-UHFFFAOYSA-N
MW406.76 g/mol
LogP4.11
Rot. Bonds4

About 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 139546541) has the molecular formula C17H10ClF3N6O and a molecular weight of 406.76 g/mol. Its IUPAC name is 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID139546541
Molecular FormulaC17H10ClF3N6O
Molecular Weight406.76 g/mol
Exact Mass406.06
IUPAC Name3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccc(Cn3cc(-c4ccc(Cl)cc4)nn3)nc2)no1
InChIInChI=1S/C17H10ClF3N6O/c18-12-4-1-10(2-5-12)14-9-27(26-24-14)8-13-6-3-11(7-22-13)15-23-16(28-25-15)17(19,20)21/h1-7,9H,8H2
InChIKeyAKUOWFJVNVEIMI-UHFFFAOYSA-N
XLogP4.11
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-[[4-(1-ethyl-5-methylpyrazol-4-yl)triazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532599
1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]piperidin-2-one
CID 129188276
3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532606
3-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532637
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155192078
3-(1,3-oxazol-4-ylmethylamino)-4-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155191914
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2,4-triazol-3-amine
CID 162746240
N-methoxy-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 158004258
2-(difluoromethyl)-5-[6-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443587
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 137371847
tert-butyl 3-[1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]triazol-4-yl]propanoate
CID 158991661

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 139546541) is 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccc(Cn3cc(-c4ccc(Cl)cc4)nn3)nc2)no1.
What is the InChIKey of 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is AKUOWFJVNVEIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N6O/c18-12-4-1-10(2-5-12)14-9-27(26-24-14)8-13-6-3-11(7-22-13)15-23-16(28-25-15)17(19,20)21/h1-7,9H,8H2.
What are the key properties of 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 406.76 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139546541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).