3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one

C16H10N2O2 — CID 134873457

IUPAC3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=C=Nc1ccccc1
InChIInChI=1S/C16H10N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)15(18-20-16)12-7-3-1-4-8-12/h1-10H
InChIKeyMVAWFLGGPKWYNF-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.88
Rot. Bonds2

About 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one

3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one (PubChem CID 134873457) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one
PubChem CID134873457
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=C=Nc1ccccc1
InChIInChI=1S/C16H10N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)15(18-20-16)12-7-3-1-4-8-12/h1-10H
InChIKeyMVAWFLGGPKWYNF-UHFFFAOYSA-N
XLogP2.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one?
The IUPAC name of 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one (CID 134873457) is 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one.
What is the SMILES notation for 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one?
The canonical SMILES for 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)C1=C=Nc1ccccc1.
What is the InChIKey of 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one?
The InChIKey is MVAWFLGGPKWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)15(18-20-16)12-7-3-1-4-8-12/h1-10H.
What are the key properties of 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one?
3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one has a molecular weight of 262.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(phenyliminomethylidene)-1,2-oxazol-5-one is sourced from PubChem (CID 134873457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).