2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)

C19H16NOSV2- — CID 59071182

IUPAC2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)
SMILESCc1ccc2sc(C=C3Oc4cc[c-]cc4N3C)c(C)c2c1.[V].[V]
InChIInChI=1S/C19H16NOS.2V/c1-12-8-9-17-14(10-12)13(2)18(22-17)11-19-20(3)15-6-4-5-7-16(15)21-19;;/h5-11H,1-3H3;;/q-1;;
InChIKeyBSKGJYFGNDHNHV-UHFFFAOYSA-N
MW408.30 g/mol
LogP5.14
Rot. Bonds1

About 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)

2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium) (PubChem CID 59071182) has the molecular formula C19H16NOSV2- and a molecular weight of 408.30 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium).

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)
PubChem CID59071182
Molecular FormulaC19H16NOSV2-
Molecular Weight408.30 g/mol
Exact Mass407.98
IUPAC Name2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)
SMILESCc1ccc2sc(C=C3Oc4cc[c-]cc4N3C)c(C)c2c1.[V].[V]
InChIInChI=1S/C19H16NOS.2V/c1-12-8-9-17-14(10-12)13(2)18(22-17)11-19-20(3)15-6-4-5-7-16(15)21-19;;/h5-11H,1-3H3;;/q-1;;
InChIKeyBSKGJYFGNDHNHV-UHFFFAOYSA-N
XLogP5.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)?
The IUPAC name of 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium) (CID 59071182) is 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium).
What is the SMILES notation for 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)?
The canonical SMILES for 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium) is Cc1ccc2sc(C=C3Oc4cc[c-]cc4N3C)c(C)c2c1.[V].[V].
What is the InChIKey of 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)?
The InChIKey is BSKGJYFGNDHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NOS.2V/c1-12-8-9-17-14(10-12)13(2)18(22-17)11-19-20(3)15-6-4-5-7-16(15)21-19;;/h5-11H,1-3H3;;/q-1;;.
What are the key properties of 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium)?
2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium) has a molecular weight of 408.30 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-benzothiophen-2-yl)methylidene]-3-methyl-5H-1,3-benzoxazol-5-ide;bis(vanadium) is sourced from PubChem (CID 59071182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).