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

C18H15NO2 — CID 3109231

IUPAC2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1cccc(C=C2N=C(c3ccccc3C)OC2=O)c1
InChIInChI=1S/C18H15NO2/c1-12-6-5-8-14(10-12)11-16-18(20)21-17(19-16)15-9-4-3-7-13(15)2/h3-11H,1-2H3
InChIKeyFEIPNZNEHSGSHJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.65
Rot. Bonds2

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

2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 3109231) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID3109231
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1cccc(C=C2N=C(c3ccccc3C)OC2=O)c1
InChIInChI=1S/C18H15NO2/c1-12-6-5-8-14(10-12)11-16-18(20)21-17(19-16)15-9-4-3-7-13(15)2/h3-11H,1-2H3
InChIKeyFEIPNZNEHSGSHJ-UHFFFAOYSA-N
XLogP3.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.65
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

(4Z)-4-[(3-chlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 5399614
(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)-4-[(3-methylphenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
CID 1237370
[3-[(E)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 6513235
(4Z)-2-(2-methylphenyl)-4-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19667858
(4Z)-2-(2,4-dichlorophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 19669989
(4E)-4-[(4-iodophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 20834643
(4E)-4-[(4-chlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 2243834
(4E)-4-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 6260080
(4Z)-2-(2-methylphenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 5399618
(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 56689330
(4Z)-2-(3-iodophenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 1270634

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 3109231) is 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one is Cc1cccc(C=C2N=C(c3ccccc3C)OC2=O)c1.
What is the InChIKey of 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is FEIPNZNEHSGSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-6-5-8-14(10-12)11-16-18(20)21-17(19-16)15-9-4-3-7-13(15)2/h3-11H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one?
2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 277.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3109231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).