(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one

C18H15NO3 — CID 6952327

IUPAC(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1C1=N/C(=C\c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C18H15NO3/c1-12-7-9-13(10-8-12)11-15-18(20)22-17(19-15)14-5-3-4-6-16(14)21-2/h3-11H,1-2H3/b15-11-
InChIKeyZNXXRCSNOJPLGR-PTNGSMBKSA-N
MW293.32 g/mol
LogP3.35
Rot. Bonds3

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

(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6952327) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6952327
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCOc1ccccc1C1=N/C(=C\c2ccc(C)cc2)C(=O)O1
InChIInChI=1S/C18H15NO3/c1-12-7-9-13(10-8-12)11-15-18(20)22-17(19-15)14-5-3-4-6-16(14)21-2/h3-11H,1-2H3/b15-11-
InChIKeyZNXXRCSNOJPLGR-PTNGSMBKSA-N
XLogP3.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorophenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 3617505
(4E)-2-(2-methoxyphenyl)-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 56689174
(4E)-2-(2,6-dimethoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936088
4-[(E)-[2-(2-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 5292990
4-[(E)-[2-(2-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
CID 6924900
4-[(4-ethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2896918
(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2687709
4-[(3,4-diethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2865589
(4Z)-2-(2-methylphenyl)-4-[[4-[(Z)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]methylidene]-1,3-oxazol-5-one
CID 93051206
(4Z)-2-[2-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 9313747
(4Z)-2-(2-iodophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 22302549
(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 56689330

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 6952327) is (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is COc1ccccc1C1=N/C(=C\c2ccc(C)cc2)C(=O)O1.
What is the InChIKey of (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is ZNXXRCSNOJPLGR-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-7-9-13(10-8-12)11-15-18(20)22-17(19-15)14-5-3-4-6-16(14)21-2/h3-11H,1-2H3/b15-11-.
What are the key properties of (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 293.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6952327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).