[(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate

C17H13N3O3 — CID 19290143

IUPAC[(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate
SMILESN/C(=N\OC(=O)c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C17H13N3O3/c18-16(13-9-5-2-6-10-13)20-23-17(21)14-11-15(22-19-14)12-7-3-1-4-8-12/h1-11H,(H2,18,20)
InChIKeyFYJNISPSWWBPIB-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.82
Rot. Bonds4

About [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate

[(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate (PubChem CID 19290143) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate
PubChem CID19290143
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate
SMILESN/C(=N\OC(=O)c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C17H13N3O3/c18-16(13-9-5-2-6-10-13)20-23-17(21)14-11-15(22-19-14)12-7-3-1-4-8-12/h1-11H,(H2,18,20)
InChIKeyFYJNISPSWWBPIB-UHFFFAOYSA-N
XLogP2.82
TPSA90.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate (CID 19290143) is [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate is N/C(=N\OC(=O)c1cc(-c2ccccc2)on1)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate?
The InChIKey is FYJNISPSWWBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-16(13-9-5-2-6-10-13)20-23-17(21)14-11-15(22-19-14)12-7-3-1-4-8-12/h1-11H,(H2,18,20).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate?
[(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] 5-phenyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 19290143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).