(3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane

C16H16N4O3S — CID 159165446

IUPAC(3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane
SMILESCOc1cccc(S(C)(=O)=Nc2ccc(-c3noc(C)n3)nc2)c1
InChIInChI=1S/C16H16N4O3S/c1-11-18-16(19-23-11)15-8-7-12(10-17-15)20-24(3,21)14-6-4-5-13(9-14)22-2/h4-10H,1-3H3
InChIKeyKKZWPMVUOKFFOA-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.24
Rot. Bonds4

About (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane

(3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane (PubChem CID 159165446) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane
PubChem CID159165446
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane
SMILESCOc1cccc(S(C)(=O)=Nc2ccc(-c3noc(C)n3)nc2)c1
InChIInChI=1S/C16H16N4O3S/c1-11-18-16(19-23-11)15-8-7-12(10-17-15)20-24(3,21)14-6-4-5-13(9-14)22-2/h4-10H,1-3H3
InChIKeyKKZWPMVUOKFFOA-UHFFFAOYSA-N
XLogP3.24
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane with MolForge

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Related Compounds

(3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 161247242
(3-methoxyphenyl)-methyl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 161432618
3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 913860
3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 23438610
N-[(3-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139370099
N-(3-methoxyphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365695
dimethyl-[[6-(3-methylsulfonylphenyl)-3-pyridinyl]imino]-oxo-λ6-sulfane
CID 167919761
(2-fluorophenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 159426525
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane
CID 159333660
3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 13237457
3-methoxybenzenesulfonamide
CID 14763060

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
The IUPAC name of (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane (CID 159165446) is (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane.
What is the SMILES notation for (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
The canonical SMILES for (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane is COc1cccc(S(C)(=O)=Nc2ccc(-c3noc(C)n3)nc2)c1.
What is the InChIKey of (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
The InChIKey is KKZWPMVUOKFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-11-18-16(19-23-11)15-8-7-12(10-17-15)20-24(3,21)14-6-4-5-13(9-14)22-2/h4-10H,1-3H3.
What are the key properties of (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane?
(3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane has a molecular weight of 344.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane is sourced from PubChem (CID 159165446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).