5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione

C13H10N2O2S — CID 10912191

IUPAC5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(COc2cccc3ccccc23)o1
InChIInChI=1S/C13H10N2O2S/c18-13-15-14-12(17-13)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,15,18)
InChIKeyWCPWXKGQTRLLRU-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.46
Rot. Bonds3

About 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione

5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 10912191) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID10912191
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione
SMILESS=c1[nH]nc(COc2cccc3ccccc23)o1
InChIInChI=1S/C13H10N2O2S/c18-13-15-14-12(17-13)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,15,18)
InChIKeyWCPWXKGQTRLLRU-UHFFFAOYSA-N
XLogP3.46
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalen-1-yloxymethyl)-5-phenyl-1,3-oxazole
CID 9014713
5-[2-(2-methoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 82291621
3-(naphthalen-1-yloxymethyl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 101129475
5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
5-(naphthalen-1-yloxymethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 101129474
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
[3-(naphthalen-1-yloxymethyl)furan-2-yl]methanamine
CID 62458706
4,6-dimethyl-N-[5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-yl]pyrimidin-2-amine
CID 2037630
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
1,5-dimethyl-3-(naphthalen-1-yloxymethyl)pyrazole
CID 82087938

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione (CID 10912191) is 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione is S=c1[nH]nc(COc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is WCPWXKGQTRLLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c18-13-15-14-12(17-13)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,15,18).
What are the key properties of 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione?
5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 258.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 10912191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).