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

C24H28N2O2 — CID 11740270

IUPAC(4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESCCCCN(CCCC)c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)21-14-12-19(13-15-21)18-22-23(25-28-24(22)27)20-10-8-7-9-11-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18-
InChIKeyBZGPSGPFMNBCJZ-PYCFMQQDSA-N
MW376.50 g/mol
LogP5.44
Rot. Bonds9

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

(4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 11740270) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID11740270
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESCCCCN(CCCC)c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)21-14-12-19(13-15-21)18-22-23(25-28-24(22)27)20-10-8-7-9-11-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18-
InChIKeyBZGPSGPFMNBCJZ-PYCFMQQDSA-N
XLogP5.44
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_A(201)', '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 (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one (CID 11740270) is (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is CCCCN(CCCC)c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1.
What is the InChIKey of (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is BZGPSGPFMNBCJZ-PYCFMQQDSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)21-14-12-19(13-15-21)18-22-23(25-28-24(22)27)20-10-8-7-9-11-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18-.
What are the key properties of (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 376.50 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 11740270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).