2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C25H23F3N4O — CID 170665230

IUPAC2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(C2=CCNCC2)ccc1-c1nnc(-c2ccc(C3=CCNCC3)cc2)o1
InChIInChI=1S/C25H23F3N4O/c26-25(27,28)22-15-20(18-9-13-30-14-10-18)5-6-21(22)24-32-31-23(33-24)19-3-1-16(2-4-19)17-7-11-29-12-8-17/h1-7,9,15,29-30H,8,10-14H2
InChIKeyYGIJKXGACBLTPU-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.18
Rot. Bonds4

About 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 170665230) has the molecular formula C25H23F3N4O and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID170665230
Molecular FormulaC25H23F3N4O
Molecular Weight452.48 g/mol
Exact Mass452.18
IUPAC Name2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(C2=CCNCC2)ccc1-c1nnc(-c2ccc(C3=CCNCC3)cc2)o1
InChIInChI=1S/C25H23F3N4O/c26-25(27,28)22-15-20(18-9-13-30-14-10-18)5-6-21(22)24-32-31-23(33-24)19-3-1-16(2-4-19)17-7-11-29-12-8-17/h1-7,9,15,29-30H,8,10-14H2
InChIKeyYGIJKXGACBLTPU-UHFFFAOYSA-N
XLogP5.18
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)aniline
CID 165118434
tert-butyl (NZ)-N-[[4-[4-[5-[4-[1-[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 170665506
4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 59863067
4-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 118483521
4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine
CID 59268455
4-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)aniline
CID 167165237
2-[3,5-bis[2-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,2,4-triazol-4-yl]ethanamine
CID 170665192
4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 23081381
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
4-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,2,3,6-tetrahydropyridine
CID 122588794
2-(2-fluoro-4-methylsulfonylphenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzoxazole
CID 71090224
4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine
CID 176867954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 170665230) is 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)(F)c1cc(C2=CCNCC2)ccc1-c1nnc(-c2ccc(C3=CCNCC3)cc2)o1.
What is the InChIKey of 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is YGIJKXGACBLTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O/c26-25(27,28)22-15-20(18-9-13-30-14-10-18)5-6-21(22)24-32-31-23(33-24)19-3-1-16(2-4-19)17-7-11-29-12-8-17/h1-7,9,15,29-30H,8,10-14H2.
What are the key properties of 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 452.48 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 170665230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).