1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten

C15H12N3O2W- — CID 149381411

IUPAC1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten
SMILESCc1nnc(NC(=O)c2c[c-]c3ccccc3c2C)o1.[W]
InChIInChI=1S/C15H12N3O2.W/c1-9-12-6-4-3-5-11(12)7-8-13(9)14(19)16-15-18-17-10(2)20-15;/h3-6,8H,1-2H3,(H,16,18,19);/q-1;
InChIKeyPYLNPYJHVBWHDE-UHFFFAOYSA-N
MW450.12 g/mol
LogP2.89
Rot. Bonds2

About 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten

1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten (PubChem CID 149381411) has the molecular formula C15H12N3O2W- and a molecular weight of 450.12 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten
PubChem CID149381411
Molecular FormulaC15H12N3O2W-
Molecular Weight450.12 g/mol
Exact Mass450.04
IUPAC Name1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten
SMILESCc1nnc(NC(=O)c2c[c-]c3ccccc3c2C)o1.[W]
InChIInChI=1S/C15H12N3O2.W/c1-9-12-6-4-3-5-11(12)7-8-13(9)14(19)16-15-18-17-10(2)20-15;/h3-6,8H,1-2H3,(H,16,18,19);/q-1;
InChIKeyPYLNPYJHVBWHDE-UHFFFAOYSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten?
The IUPAC name of 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten (CID 149381411) is 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten.
What is the SMILES notation for 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten?
The canonical SMILES for 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten is Cc1nnc(NC(=O)c2c[c-]c3ccccc3c2C)o1.[W].
What is the InChIKey of 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten?
The InChIKey is PYLNPYJHVBWHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N3O2.W/c1-9-12-6-4-3-5-11(12)7-8-13(9)14(19)16-15-18-17-10(2)20-15;/h3-6,8H,1-2H3,(H,16,18,19);/q-1;.
What are the key properties of 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten?
1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten has a molecular weight of 450.12 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4H-naphthalen-4-ide-2-carboxamide;tungsten is sourced from PubChem (CID 149381411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).