4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one

C10H9N3O2 — CID 165346103

IUPAC4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one
SMILES[2H]N(N=C1C(=O)ON=C1C)c1ccccc1
InChIInChI=1S/C10H9N3O2/c1-7-9(10(14)15-13-7)12-11-8-5-3-2-4-6-8/h2-6,11H,1H3/i/hD
InChIKeyYCNZYEMBPKHYRV-DYCDLGHISA-N
MW204.21 g/mol
LogP1.39
Rot. Bonds2

About 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one

4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one (PubChem CID 165346103) has the molecular formula C10H9N3O2 and a molecular weight of 204.21 g/mol. Its IUPAC name is 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one
PubChem CID165346103
Molecular FormulaC10H9N3O2
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one
SMILES[2H]N(N=C1C(=O)ON=C1C)c1ccccc1
InChIInChI=1S/C10H9N3O2/c1-7-9(10(14)15-13-7)12-11-8-5-3-2-4-6-8/h2-6,11H,1H3/i/hD
InChIKeyYCNZYEMBPKHYRV-DYCDLGHISA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one?
The IUPAC name of 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one (CID 165346103) is 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one is [2H]N(N=C1C(=O)ON=C1C)c1ccccc1.
What is the InChIKey of 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one?
The InChIKey is YCNZYEMBPKHYRV-DYCDLGHISA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-9(10(14)15-13-7)12-11-8-5-3-2-4-6-8/h2-6,11H,1H3/i/hD.
What are the key properties of 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one?
4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one has a molecular weight of 204.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[deuterio(phenyl)hydrazinylidene]-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 165346103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).