(4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one

C17H15NO3 — CID 6935048

IUPAC(4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)o1
InChIInChI=1S/C17H15NO3/c1-10-4-6-13(8-11(10)2)16-18-15(17(19)21-16)9-14-7-5-12(3)20-14/h4-9H,1-3H3/b15-9+
InChIKeyPDRXBZIPSQRGIL-OQLLNIDSSA-N
MW281.31 g/mol
LogP3.55
Rot. Bonds2

About (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one

(4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 6935048) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
PubChem CID6935048
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)o1
InChIInChI=1S/C17H15NO3/c1-10-4-6-13(8-11(10)2)16-18-15(17(19)21-16)9-14-7-5-12(3)20-14/h4-9H,1-3H3/b15-9+
InChIKeyPDRXBZIPSQRGIL-OQLLNIDSSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one (CID 6935048) is (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is Cc1ccc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)o1.
What is the InChIKey of (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is PDRXBZIPSQRGIL-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-4-6-13(8-11(10)2)16-18-15(17(19)21-16)9-14-7-5-12(3)20-14/h4-9H,1-3H3/b15-9+.
What are the key properties of (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 281.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3,4-dimethylphenyl)-4-[(5-methylfuran-2-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6935048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).