(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine

C19H19N3O4 — CID 87276449

IUPAC(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
SMILESCOc1cc(/C(=N\N)c2coc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(22-20)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-11H,20H2,1-3H3/b22-17+
InChIKeyDOLQDKHYSJDSBI-OQKWZONESA-N
MW353.38 g/mol
LogP3.08
Rot. Bonds6

About (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine

(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine (PubChem CID 87276449) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
PubChem CID87276449
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
SMILESCOc1cc(/C(=N\N)c2coc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(22-20)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-11H,20H2,1-3H3/b22-17+
InChIKeyDOLQDKHYSJDSBI-OQKWZONESA-N
XLogP3.08
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
The IUPAC name of (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine (CID 87276449) is (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine.
What is the SMILES notation for (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
The canonical SMILES for (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine is COc1cc(/C(=N\N)c2coc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
The InChIKey is DOLQDKHYSJDSBI-OQKWZONESA-N. The full InChI is InChI=1S/C19H19N3O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)17(22-20)14-11-26-19(21-14)12-7-5-4-6-8-12/h4-11H,20H2,1-3H3/b22-17+.
What are the key properties of (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine?
(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine has a molecular weight of 353.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine is sourced from PubChem (CID 87276449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).