1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one

C24H24N4O4S — CID 144580615

IUPAC1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCNSc1ccc(-c2nc(-c3ccc(=O)n(Cc4cccc(OCCOC)c4)c3)no2)cc1
InChIInChI=1S/C24H24N4O4S/c1-25-33-21-9-6-18(7-10-21)24-26-23(27-32-24)19-8-11-22(29)28(16-19)15-17-4-3-5-20(14-17)31-13-12-30-2/h3-11,14,16,25H,12-13,15H2,1-2H3
InChIKeyGZYCIFOABRXWJG-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.87
Rot. Bonds10

About 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one

1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 144580615) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID144580615
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCNSc1ccc(-c2nc(-c3ccc(=O)n(Cc4cccc(OCCOC)c4)c3)no2)cc1
InChIInChI=1S/C24H24N4O4S/c1-25-33-21-9-6-18(7-10-21)24-26-23(27-32-24)19-8-11-22(29)28(16-19)15-17-4-3-5-20(14-17)31-13-12-30-2/h3-11,14,16,25H,12-13,15H2,1-2H3
InChIKeyGZYCIFOABRXWJG-UHFFFAOYSA-N
XLogP3.87
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73332715
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(2-methoxyethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73331081
5-[5-(1H-indol-5-yl)-1,2,4-oxadiazol-3-yl]-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-2-one
CID 73331369
1-[(3-prop-2-enoxyphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712188
N'-hydroxy-6-oxo-1-[(3-propoxyphenyl)methyl]pyridine-3-carboximidamide;1-[(3-propoxyphenyl)methyl]-5-[5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one;4-[1-(trifluoromethyl)cyclopropyl]benzoic acid
CID 172916919
S-[[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]methyl] ethanethioate
CID 86712176
1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73331650
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one
CID 47628361
1-[(4-methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712164
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one
CID 166850823
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-[4-[4-[4-(prop-2-ynylamino)phenoxy]butoxy]butoxy]phenyl]methyl]pyridin-2-one
CID 177247339

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 144580615) is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is CNSc1ccc(-c2nc(-c3ccc(=O)n(Cc4cccc(OCCOC)c4)c3)no2)cc1.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is GZYCIFOABRXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-25-33-21-9-6-18(7-10-21)24-26-23(27-32-24)19-8-11-22(29)28(16-19)15-17-4-3-5-20(14-17)31-13-12-30-2/h3-11,14,16,25H,12-13,15H2,1-2H3.
What are the key properties of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 464.55 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 144580615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).