4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one

C15H14N2O2 — CID 46942959

IUPAC4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one
SMILESCC1ON=C(c2cccc3ccccc23)N(C)C1=O
InChIInChI=1S/C15H14N2O2/c1-10-15(18)17(2)14(16-19-10)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyRJJMNCWOQAHLMY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.38
Rot. Bonds1

About 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one

4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one (PubChem CID 46942959) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one.

Molecular Properties

Compound Name4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one
PubChem CID46942959
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one
SMILESCC1ON=C(c2cccc3ccccc23)N(C)C1=O
InChIInChI=1S/C15H14N2O2/c1-10-15(18)17(2)14(16-19-10)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyRJJMNCWOQAHLMY-UHFFFAOYSA-N
XLogP2.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one?
The IUPAC name of 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one (CID 46942959) is 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one.
What is the SMILES notation for 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one?
The canonical SMILES for 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one is CC1ON=C(c2cccc3ccccc23)N(C)C1=O.
What is the InChIKey of 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one?
The InChIKey is RJJMNCWOQAHLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-15(18)17(2)14(16-19-10)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3.
What are the key properties of 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one?
4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one has a molecular weight of 254.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-naphthalen-1-yl-1,2,4-oxadiazin-5-one is sourced from PubChem (CID 46942959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).