5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C17H10ClF3N4O — CID 46233877

IUPAC5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)n1
InChIInChI=1S/C17H10ClF3N4O/c1-9-4-2-3-5-11(9)14-23-16(26-24-14)13-8-25-7-10(17(19,20)21)6-12(18)15(25)22-13/h2-8H,1H3
InChIKeyBGYLIRBEYPGTHQ-UHFFFAOYSA-N
MW378.74 g/mol
LogP5.03
Rot. Bonds2

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 46233877) has the molecular formula C17H10ClF3N4O and a molecular weight of 378.74 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID46233877
Molecular FormulaC17H10ClF3N4O
Molecular Weight378.74 g/mol
Exact Mass378.05
IUPAC Name5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)n1
InChIInChI=1S/C17H10ClF3N4O/c1-9-4-2-3-5-11(9)14-23-16(26-24-14)13-8-25-7-10(17(19,20)21)6-12(18)15(25)22-13/h2-8H,1H3
InChIKeyBGYLIRBEYPGTHQ-UHFFFAOYSA-N
XLogP5.03
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.74
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 59377080
3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]butanoic acid
CID 59377272
tert-butyl 3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoate
CID 59377236
3-[2-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-5-methylphenyl]propanoic acid
CID 59377252
ethyl (E)-3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]prop-2-enoate
CID 89060586
3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-2-methylpropanoic acid
CID 59377203
3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]butanoic acid
CID 46234051
1-[2,6-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 59377275
2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,3-diol
CID 57461217
3-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 59377374
3-[3-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-isocyanopropanoic acid
CID 59377095
3-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]pentan-3-ylphosphonic acid
CID 87513838

Frequently Asked Questions

What is the IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 46233877) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)n1.
What is the InChIKey of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BGYLIRBEYPGTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O/c1-9-4-2-3-5-11(9)14-23-16(26-24-14)13-8-25-7-10(17(19,20)21)6-12(18)15(25)22-13/h2-8H,1H3.
What are the key properties of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 378.74 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).