6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)

C13H18N2OW — CID 155642511

IUPAC6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)
SMILESCC(C)(C)c1cc2oncc2[c-]n1.C[CH-]C.[W+2]
InChIInChI=1S/C10H11N2O.C3H7.W/c1-10(2,3)9-4-8-7(5-11-9)6-12-13-8;1-3-2;/h4,6H,1-3H3;3H,1-2H3;/q2*-1;+2
InChIKeyHMOYLANWTYCYED-UHFFFAOYSA-N
MW402.14 g/mol
LogP3.55
Rot. Bonds

About 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)

6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+) (PubChem CID 155642511) has the molecular formula C13H18N2OW and a molecular weight of 402.14 g/mol. Its IUPAC name is 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+).

Molecular Properties

Compound Name6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)
PubChem CID155642511
Molecular FormulaC13H18N2OW
Molecular Weight402.14 g/mol
Exact Mass402.09
IUPAC Name6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)
SMILESCC(C)(C)c1cc2oncc2[c-]n1.C[CH-]C.[W+2]
InChIInChI=1S/C10H11N2O.C3H7.W/c1-10(2,3)9-4-8-7(5-11-9)6-12-13-8;1-3-2;/h4,6H,1-3H3;3H,1-2H3;/q2*-1;+2
InChIKeyHMOYLANWTYCYED-UHFFFAOYSA-N
XLogP3.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)?
The IUPAC name of 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+) (CID 155642511) is 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+).
What is the SMILES notation for 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)?
The canonical SMILES for 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+) is CC(C)(C)c1cc2oncc2[c-]n1.C[CH-]C.[W+2].
What is the InChIKey of 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)?
The InChIKey is HMOYLANWTYCYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O.C3H7.W/c1-10(2,3)9-4-8-7(5-11-9)6-12-13-8;1-3-2;/h4,6H,1-3H3;3H,1-2H3;/q2*-1;+2.
What are the key properties of 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+)?
6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+) has a molecular weight of 402.14 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4H-[1,2]oxazolo[4,5-c]pyridin-4-ide;propane;tungsten(2+) is sourced from PubChem (CID 155642511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).