5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole

C23H12ClF3N4OS — CID 2746072

IUPAC5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccncc1-c1nc(-c2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cs1
InChIInChI=1S/C23H12ClF3N4OS/c24-16-7-5-15(6-8-16)21-30-20(31-32-21)14-3-1-13(2-4-14)19-12-33-22(29-19)17-11-28-10-9-18(17)23(25,26)27/h1-12H
InChIKeyFZCVSZCAIBPLRK-UHFFFAOYSA-N
MW484.89 g/mol
LogP7.26
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 2746072) has the molecular formula C23H12ClF3N4OS and a molecular weight of 484.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
PubChem CID2746072
Molecular FormulaC23H12ClF3N4OS
Molecular Weight484.89 g/mol
Exact Mass484.04
IUPAC Name5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccncc1-c1nc(-c2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cs1
InChIInChI=1S/C23H12ClF3N4OS/c24-16-7-5-15(6-8-16)21-30-20(31-32-21)14-3-1-13(2-4-14)19-12-33-22(29-19)17-11-28-10-9-18(17)23(25,26)27/h1-12H
InChIKeyFZCVSZCAIBPLRK-UHFFFAOYSA-N
XLogP7.26
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.89
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
CID 22049722
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
5-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 22744077
4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 2746356
5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole
CID 2726956
3-(5-chloro-3-pyridinyl)-5-[4-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 151927470
2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 91215676
2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole
CID 69499454
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole (CID 2746072) is 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccncc1-c1nc(-c2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cs1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is FZCVSZCAIBPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClF3N4OS/c24-16-7-5-15(6-8-16)21-30-20(31-32-21)14-3-1-13(2-4-14)19-12-33-22(29-19)17-11-28-10-9-18(17)23(25,26)27/h1-12H.
What are the key properties of 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 484.89 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2746072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).