4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

C12H10N2O3S — CID 14699387

IUPAC4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(COc2ccc3ccccc3c2)NO1
InChIInChI=1S/C12H10N2O3S/c15-18-14-12(13-17-18)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKeyKZUSVFNZALRYSZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.73
Rot. Bonds3

About 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14699387) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14699387
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(COc2ccc3ccccc3c2)NO1
InChIInChI=1S/C12H10N2O3S/c15-18-14-12(13-17-18)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
InChIKeyKZUSVFNZALRYSZ-UHFFFAOYSA-N
XLogP1.73
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14699387) is 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is O=S1N=C(COc2ccc3ccccc3c2)NO1.
What is the InChIKey of 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is KZUSVFNZALRYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-18-14-12(13-17-18)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14).
What are the key properties of 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 262.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-yloxymethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14699387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).