(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one

C26H23NO2 — CID 19665289

IUPAC(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
SMILESCC(C)(C)c1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1
InChIInChI=1S/C26H23NO2/c1-26(2,3)22-15-9-18(10-16-22)17-23-25(28)29-24(27-23)21-13-11-20(12-14-21)19-7-5-4-6-8-19/h4-17H,1-3H3/b23-17-
InChIKeyMPAUBRVKSVVOGT-QJOMJCCJSA-N
MW381.48 g/mol
LogP6.00
Rot. Bonds3

About (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one

(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one (PubChem CID 19665289) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
PubChem CID19665289
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
SMILESCC(C)(C)c1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1
InChIInChI=1S/C26H23NO2/c1-26(2,3)22-15-9-18(10-16-22)17-23-25(28)29-24(27-23)21-13-11-20(12-14-21)19-7-5-4-6-8-19/h4-17H,1-3H3/b23-17-
InChIKeyMPAUBRVKSVVOGT-QJOMJCCJSA-N
XLogP6.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(4-bromophenyl)methylidene]-2-(4-tert-butylphenyl)-1,3-oxazol-5-one
CID 3102617
4-[(4-tert-butylphenyl)methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 615922
(4Z)-2-(4-tert-butylphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 5286052
4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 2480120
4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 2395365
4-[(E)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 2395362
4-[(4-tert-butylphenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 3103920
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 71414757
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-oxazol-5-one
CID 6372706
(4E)-2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methylidene]-1,3-oxazol-5-one
CID 6087765
(4Z)-2-(4-tert-butylphenyl)-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 2302510

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one (CID 19665289) is (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one is CC(C)(C)c1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1.
What is the InChIKey of (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?
The InChIKey is MPAUBRVKSVVOGT-QJOMJCCJSA-N. The full InChI is InChI=1S/C26H23NO2/c1-26(2,3)22-15-9-18(10-16-22)17-23-25(28)29-24(27-23)21-13-11-20(12-14-21)19-7-5-4-6-8-19/h4-17H,1-3H3/b23-17-.
What are the key properties of (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one?
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one has a molecular weight of 381.48 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 19665289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).