4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

C16H12N2O2 — CID 71414757

IUPAC4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESNc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C16H12N2O2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H,17H2
InChIKeyVRNQDHJNYABNSZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.61
Rot. Bonds2

About 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 71414757) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID71414757
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESNc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C16H12N2O2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H,17H2
InChIKeyVRNQDHJNYABNSZ-UHFFFAOYSA-N
XLogP2.61
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 2480120
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
4-[[4-[ethyl(methyl)amino]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3468518
4-[(4-butoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3093027
(4E)-4-[[4-(3,4-dichlorophenoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 50990705
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6199787
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
(4E)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 94849006
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313248
4-[(4-bromophenyl)methylidene]-2-pyridin-4-yl-1,3-oxazol-5-one
CID 5146660

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 71414757) is 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is Nc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is VRNQDHJNYABNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H,17H2.
What are the key properties of 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 264.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 71414757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).