carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)

C13H16N2OW — CID 155572340

IUPACcarbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
SMILES[CH3-].[W+2].[c-]1ccc2oc(C3CCNCC3)nc2c1
InChIInChI=1S/C12H13N2O.CH3.W/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;;/h2-4,9,13H,5-8H2;1H3;/q2*-1;+2
InChIKeyBCZYQHOLTKIKSS-UHFFFAOYSA-N
MW400.12 g/mol
LogP2.54
Rot. Bonds1

About carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)

carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+) (PubChem CID 155572340) has the molecular formula C13H16N2OW and a molecular weight of 400.12 g/mol. Its IUPAC name is carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
PubChem CID155572340
Molecular FormulaC13H16N2OW
Molecular Weight400.12 g/mol
Exact Mass400.08
IUPAC Namecarbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
SMILES[CH3-].[W+2].[c-]1ccc2oc(C3CCNCC3)nc2c1
InChIInChI=1S/C12H13N2O.CH3.W/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;;/h2-4,9,13H,5-8H2;1H3;/q2*-1;+2
InChIKeyBCZYQHOLTKIKSS-UHFFFAOYSA-N
XLogP2.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+) with MolForge

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Related Compounds

5-Fluoro-2-piperidin-4-yl-6,7-dihydro-1,3-benzoxazole
CID 89672712
5-Fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole
CID 143792169
5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89901258
4,5-Dimethyl-2-(6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole
CID 141168020
chloromethane;ethane;5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole;2-pent-1-en-2-ylsulfanyl-1-piperidin-4-ylprop-2-en-1-one
CID 142247486
[4-(6,6-Dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine
CID 143699109
4-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
CID 143791787
4-[(Z)-3-chloroprop-1-enyl]-5-methyl-2-piperidin-4-yl-1,3-oxazole
CID 143792230
5-Methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole
CID 163926999
(1E)-1-(4-ethenyl-2-pentan-3-yl-1,3-oxazol-5-yl)buta-1,3-dien-2-amine
CID 170225187
(1E)-1-(5-ethenyl-2-pentan-3-yl-1,3-oxazol-4-yl)buta-1,3-dien-2-amine
CID 170225194

Frequently Asked Questions

What is the IUPAC name of carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)?
The IUPAC name of carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+) (CID 155572340) is carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+).
What is the SMILES notation for carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)?
The canonical SMILES for carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+) is [CH3-].[W+2].[c-]1ccc2oc(C3CCNCC3)nc2c1.
What is the InChIKey of carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)?
The InChIKey is BCZYQHOLTKIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O.CH3.W/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;;/h2-4,9,13H,5-8H2;1H3;/q2*-1;+2.
What are the key properties of carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)?
carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+) has a molecular weight of 400.12 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+) is sourced from PubChem (CID 155572340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).