methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane

C16H13F3N6O3S — CID 164518322

IUPACmethyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane
SMILESCc1nc2cc(-c3noc(C(F)(F)F)n3)ccn2c1N=S(C)(=O)Cc1cocn1
InChIInChI=1S/C16H13F3N6O3S/c1-9-14(24-29(2,26)7-11-6-27-8-20-11)25-4-3-10(5-12(25)21-9)13-22-15(28-23-13)16(17,18)19/h3-6,8H,7H2,1-2H3
InChIKeyRGKYFNDCIFBZRE-UHFFFAOYSA-N
MW426.38 g/mol
LogP3.63
Rot. Bonds4

About methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane

methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane (PubChem CID 164518322) has the molecular formula C16H13F3N6O3S and a molecular weight of 426.38 g/mol. Its IUPAC name is methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Namemethyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane
PubChem CID164518322
Molecular FormulaC16H13F3N6O3S
Molecular Weight426.38 g/mol
Exact Mass426.07
IUPAC Namemethyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane
SMILESCc1nc2cc(-c3noc(C(F)(F)F)n3)ccn2c1N=S(C)(=O)Cc1cocn1
InChIInChI=1S/C16H13F3N6O3S/c1-9-14(24-29(2,26)7-11-6-27-8-20-11)25-4-3-10(5-12(25)21-9)13-22-15(28-23-13)16(17,18)19/h3-6,8H,7H2,1-2H3
InChIKeyRGKYFNDCIFBZRE-UHFFFAOYSA-N
XLogP3.63
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane with MolForge

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Related Compounds

methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-oxo-pyridin-3-yl-λ6-sulfane
CID 164518300
tert-butyl-[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-methyl-oxo-λ6-sulfane
CID 164518444
[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]imino-(2,6-dichlorophenyl)-methyl-oxo-λ6-sulfane
CID 164518346
tert-butyl-methyl-oxo-[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]imino-λ6-sulfane
CID 164518360
methyl-oxo-pyridin-2-yl-[[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518377
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532704
(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
CID 164518424
3-[2-(diethoxyphosphorylmethyl)imidazo[1,2-a]pyridin-7-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162734295
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
(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
CID 164518461
[7-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino-methyl-oxo-(3,3,3-trifluoropropyl)-λ6-sulfane
CID 164518472
methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imino-[4-(trifluoromethyl)phenyl]-λ6-sulfane
CID 155279202

Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane?
The IUPAC name of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane (CID 164518322) is methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane.
What is the SMILES notation for methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane?
The canonical SMILES for methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane is Cc1nc2cc(-c3noc(C(F)(F)F)n3)ccn2c1N=S(C)(=O)Cc1cocn1.
What is the InChIKey of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane?
The InChIKey is RGKYFNDCIFBZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O3S/c1-9-14(24-29(2,26)7-11-6-27-8-20-11)25-4-3-10(5-12(25)21-9)13-22-15(28-23-13)16(17,18)19/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane?
methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane has a molecular weight of 426.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]imino-(1,3-oxazol-4-ylmethyl)-oxo-λ6-sulfane is sourced from PubChem (CID 164518322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).