3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C17H10F4N4OS — CID 155708418

IUPAC3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFc1cccc(SCc2cn3cc(-c4noc(C(F)(F)F)n4)ccc3n2)c1
InChIInChI=1S/C17H10F4N4OS/c18-11-2-1-3-13(6-11)27-9-12-8-25-7-10(4-5-14(25)22-12)15-23-16(26-24-15)17(19,20)21/h1-8H,9H2
InChIKeyXHUHMQOCQOHDIY-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.83
Rot. Bonds4

About 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 155708418) has the molecular formula C17H10F4N4OS and a molecular weight of 394.35 g/mol. Its IUPAC name is 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID155708418
Molecular FormulaC17H10F4N4OS
Molecular Weight394.35 g/mol
Exact Mass394.05
IUPAC Name3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFc1cccc(SCc2cn3cc(-c4noc(C(F)(F)F)n4)ccc3n2)c1
InChIInChI=1S/C17H10F4N4OS/c18-11-2-1-3-13(6-11)27-9-12-8-25-7-10(4-5-14(25)22-12)15-23-16(26-24-15)17(19,20)21/h1-8H,9H2
InChIKeyXHUHMQOCQOHDIY-UHFFFAOYSA-N
XLogP4.83
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(4-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155708438
3-(3-benzylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175179860
3-[2-[(2-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162532747
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
3-[4-(phenylsulfanylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370356
N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
CID 155193306
ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142598078
3-(4-tert-butylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370360
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532721
(4-methoxyphenyl)methyl-methyl-oxo-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518409
N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532654
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 155708418) is 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Fc1cccc(SCc2cn3cc(-c4noc(C(F)(F)F)n4)ccc3n2)c1.
What is the InChIKey of 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is XHUHMQOCQOHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4OS/c18-11-2-1-3-13(6-11)27-9-12-8-25-7-10(4-5-14(25)22-12)15-23-16(26-24-15)17(19,20)21/h1-8H,9H2.
What are the key properties of 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 394.35 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155708418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).