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

C17H17N3O3S — CID 161247242

IUPAC(3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
SMILESCOc1cccc(S(C)(=O)=Nc2ccc(-c3noc(C)n3)cc2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-18-17(19-23-12)13-7-9-14(10-8-13)20-24(3,21)16-6-4-5-15(11-16)22-2/h4-11H,1-3H3
InChIKeyVAUKTMIIRBHQBU-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.84
Rot. Bonds4

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

(3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane (PubChem CID 161247242) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
PubChem CID161247242
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name(3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
SMILESCOc1cccc(S(C)(=O)=Nc2ccc(-c3noc(C)n3)cc2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-18-17(19-23-12)13-7-9-14(10-8-13)20-24(3,21)16-6-4-5-15(11-16)22-2/h4-11H,1-3H3
InChIKeyVAUKTMIIRBHQBU-UHFFFAOYSA-N
XLogP3.84
TPSA77.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxyphenyl)-methyl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 161432618
(3-methoxyphenyl)-methyl-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]imino]-oxo-λ6-sulfane
CID 159165446
(2-fluorophenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 159426525
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
(2,3-difluorophenyl)methyl-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane
CID 161456208
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
N-(3-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 139369929
methyl-[4-(5-methyl-1,2-oxazol-3-yl)phenyl]imino-oxo-phenyl-λ6-sulfane
CID 159333660
N-[(4-methoxyphenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 158675656
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
(2-fluoro-4-methoxyphenyl)imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 153332548

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
The IUPAC name of (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane (CID 161247242) is (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane.
What is the SMILES notation for (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
The canonical SMILES for (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane is COc1cccc(S(C)(=O)=Nc2ccc(-c3noc(C)n3)cc2)c1.
What is the InChIKey of (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
The InChIKey is VAUKTMIIRBHQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-18-17(19-23-12)13-7-9-14(10-8-13)20-24(3,21)16-6-4-5-15(11-16)22-2/h4-11H,1-3H3.
What are the key properties of (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane?
(3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane has a molecular weight of 343.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-methyl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 161247242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).