(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane

C17H15F2N3O2S — CID 161456208

IUPAC(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
SMILESCc1nc(-c2ccc(N=S(C)(=O)Cc3cccc(F)c3F)cc2)no1
InChIInChI=1S/C17H15F2N3O2S/c1-11-20-17(21-24-11)12-6-8-14(9-7-12)22-25(2,23)10-13-4-3-5-15(18)16(13)19/h3-9H,10H2,1-2H3
InChIKeyWBELDFHQEUMINA-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.25
Rot. Bonds4

About (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane

(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane (PubChem CID 161456208) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
PubChem CID161456208
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
SMILESCc1nc(-c2ccc(N=S(C)(=O)Cc3cccc(F)c3F)cc2)no1
InChIInChI=1S/C17H15F2N3O2S/c1-11-20-17(21-24-11)12-6-8-14(9-7-12)22-25(2,23)10-13-4-3-5-15(18)16(13)19/h3-9H,10H2,1-2H3
InChIKeyWBELDFHQEUMINA-UHFFFAOYSA-N
XLogP4.25
TPSA68.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 159426525
N-[methyl-[(2-methylphenyl)methyl]-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 159454111
(3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 161247242
N-[(3-fluorophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 158984067
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
ethane;3-(2-fluoro-6-methylphenyl)-5-methyl-1,2,4-oxadiazole
CID 144872021
N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
CID 158645490
N-[(4-methoxyphenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 158675656
N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042636
1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
CID 122632912
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
2-fluoro-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]benzonitrile
CID 51202751

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
The IUPAC name of (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane (CID 161456208) is (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane.
What is the SMILES notation for (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
The canonical SMILES for (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane is Cc1nc(-c2ccc(N=S(C)(=O)Cc3cccc(F)c3F)cc2)no1.
What is the InChIKey of (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
The InChIKey is WBELDFHQEUMINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-11-20-17(21-24-11)12-6-8-14(9-7-12)22-25(2,23)10-13-4-3-5-15(18)16(13)19/h3-9H,10H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane has a molecular weight of 363.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 161456208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).