[6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol

C22H20N2O3S — CID 58897555

IUPAC[6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(-c3nnc(CSCCOc4ccccc4)o3)ccc2c1
InChIInChI=1S/C22H20N2O3S/c25-14-16-6-7-18-13-19(9-8-17(18)12-16)22-24-23-21(27-22)15-28-11-10-26-20-4-2-1-3-5-20/h1-9,12-13,25H,10-11,14-15H2
InChIKeyGAMYLDBIQGFUAV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.69
Rot. Bonds8

About [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol

[6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol (PubChem CID 58897555) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol
PubChem CID58897555
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name[6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(-c3nnc(CSCCOc4ccccc4)o3)ccc2c1
InChIInChI=1S/C22H20N2O3S/c25-14-16-6-7-18-13-19(9-8-17(18)12-16)22-24-23-21(27-22)15-28-11-10-26-20-4-2-1-3-5-20/h1-9,12-13,25H,10-11,14-15H2
InChIKeyGAMYLDBIQGFUAV-UHFFFAOYSA-N
XLogP4.69
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol?
The IUPAC name of [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol (CID 58897555) is [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol.
What is the SMILES notation for [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol?
The canonical SMILES for [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol is OCc1ccc2cc(-c3nnc(CSCCOc4ccccc4)o3)ccc2c1.
What is the InChIKey of [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol?
The InChIKey is GAMYLDBIQGFUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-14-16-6-7-18-13-19(9-8-17(18)12-16)22-24-23-21(27-22)15-28-11-10-26-20-4-2-1-3-5-20/h1-9,12-13,25H,10-11,14-15H2.
What are the key properties of [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol?
[6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol has a molecular weight of 392.48 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]naphthalen-2-yl]methanol is sourced from PubChem (CID 58897555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).