1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one

C17H15N3O2S — CID 2766583

IUPAC1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESC=CCSc1nnc(-c2ccc(=O)n(Cc3ccccc3)c2)o1
InChIInChI=1S/C17H15N3O2S/c1-2-10-23-17-19-18-16(22-17)14-8-9-15(21)20(12-14)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2
InChIKeyFJZRLYDRSYSAQM-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.22
Rot. Bonds6

About 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one

1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one (PubChem CID 2766583) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
PubChem CID2766583
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESC=CCSc1nnc(-c2ccc(=O)n(Cc3ccccc3)c2)o1
InChIInChI=1S/C17H15N3O2S/c1-2-10-23-17-19-18-16(22-17)14-8-9-15(21)20(12-14)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2
InChIKeyFJZRLYDRSYSAQM-UHFFFAOYSA-N
XLogP3.22
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-(3,4-dichlorophenyl)pyridin-2-one
CID 69442572
2-(2-methylphenyl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 84603555
2-[4-(difluoromethoxy)phenyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 78765758
2-phenyl-1-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 22694291
5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 167838278
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 7459288
2-(3H-benzimidazol-5-yl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 25024286
2-benzylsulfanyl-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060735
N-(2-benzylpyrazol-3-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42332993
2-prop-2-enylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2274823
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 18776208
1-benzyl-5-phenylpyrimidin-2-one
CID 14318835

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one (CID 2766583) is 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one is C=CCSc1nnc(-c2ccc(=O)n(Cc3ccccc3)c2)o1.
What is the InChIKey of 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
The InChIKey is FJZRLYDRSYSAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-10-23-17-19-18-16(22-17)14-8-9-15(21)20(12-14)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2.
What are the key properties of 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one has a molecular weight of 325.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 2766583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).