5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one

C13H10N2O3 — CID 10444398

IUPAC5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C13H10N2O3/c16-13-15-14-12(18-13)8-17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,15,16)
InChIKeyVJTCNQHTODJQNH-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.10
Rot. Bonds3

About 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one

5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 10444398) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID10444398
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C13H10N2O3/c16-13-15-14-12(18-13)8-17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,15,16)
InChIKeyVJTCNQHTODJQNH-UHFFFAOYSA-N
XLogP2.10
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one (CID 10444398) is 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is VJTCNQHTODJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13-15-14-12(18-13)8-17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,15,16).
What are the key properties of 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one?
5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 242.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-yloxymethyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 10444398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).