2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

C15H11N3O2S — CID 655119

IUPAC2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C15H11N3O2S/c16-7-8-21-15-18-17-14(20-15)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,8,10H2
InChIKeySMANEWNWCGHZLP-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.42
Rot. Bonds5

About 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 655119) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID655119
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C15H11N3O2S/c16-7-8-21-15-18-17-14(20-15)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,8,10H2
InChIKeySMANEWNWCGHZLP-UHFFFAOYSA-N
XLogP3.42
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (CID 655119) is 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is N#CCSc1nnc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is SMANEWNWCGHZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-7-8-21-15-18-17-14(20-15)10-19-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,8,10H2.
What are the key properties of 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 297.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 655119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).