S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine

C18H13N3OS — CID 142094941

IUPACS-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine
SMILESNSc1ccc(-c2nc(-c3ccc4ccccc4c3)no2)cc1
InChIInChI=1S/C18H13N3OS/c19-23-16-9-7-13(8-10-16)18-20-17(21-22-18)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,19H2
InChIKeyJIRNUPXKOJYQLK-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.52
Rot. Bonds3

About S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine

S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine (PubChem CID 142094941) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine
PubChem CID142094941
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameS-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine
SMILESNSc1ccc(-c2nc(-c3ccc4ccccc4c3)no2)cc1
InChIInChI=1S/C18H13N3OS/c19-23-16-9-7-13(8-10-16)18-20-17(21-22-18)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,19H2
InChIKeyJIRNUPXKOJYQLK-UHFFFAOYSA-N
XLogP4.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 176895766
3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63351950
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-N-phenylaniline
CID 59499443
(1R)-2,2-dimethyl-1-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104899417
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)aniline
CID 86257239
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 106524461
3-amino-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 62716743
3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 162651749
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758

Frequently Asked Questions

What is the IUPAC name of S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine?
The IUPAC name of S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine (CID 142094941) is S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine is NSc1ccc(-c2nc(-c3ccc4ccccc4c3)no2)cc1.
What is the InChIKey of S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine?
The InChIKey is JIRNUPXKOJYQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c19-23-16-9-7-13(8-10-16)18-20-17(21-22-18)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,19H2.
What are the key properties of S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine?
S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine has a molecular weight of 319.39 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine is sourced from PubChem (CID 142094941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).