4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one

C10H5Cl2NO2 — CID 569596

IUPAC4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=C(Cl)Cl
InChIInChI=1S/C10H5Cl2NO2/c11-8(12)7-10(14)15-9(13-7)6-4-2-1-3-5-6/h1-5H
InChIKeyYFQCWRFRSGFFTC-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.64
Rot. Bonds1

About 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one

4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 569596) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID569596
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=C(Cl)Cl
InChIInChI=1S/C10H5Cl2NO2/c11-8(12)7-10(14)15-9(13-7)6-4-2-1-3-5-6/h1-5H
InChIKeyYFQCWRFRSGFFTC-UHFFFAOYSA-N
XLogP2.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(dichloromethylidene)-2-phenyl-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 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one (CID 569596) is 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1=C(Cl)Cl.
What is the InChIKey of 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is YFQCWRFRSGFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-8(12)7-10(14)15-9(13-7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one?
4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 242.06 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 569596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).