4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one

C22H11Cl2NO2 — CID 162070057

IUPAC4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=C1c2ccccc2-c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C22H11Cl2NO2/c23-13-10-16-18(17(24)11-13)14-8-4-5-9-15(14)19(16)20-22(26)27-21(25-20)12-6-2-1-3-7-12/h1-11H
InChIKeySETUVMOJOLLYMX-UHFFFAOYSA-N
MW392.24 g/mol
LogP5.74
Rot. Bonds1

About 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one

4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 162070057) has the molecular formula C22H11Cl2NO2 and a molecular weight of 392.24 g/mol. Its IUPAC name is 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID162070057
Molecular FormulaC22H11Cl2NO2
Molecular Weight392.24 g/mol
Exact Mass391.02
IUPAC Name4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=C1c2ccccc2-c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C22H11Cl2NO2/c23-13-10-16-18(17(24)11-13)14-8-4-5-9-15(14)19(16)20-22(26)27-21(25-20)12-6-2-1-3-7-12/h1-11H
InChIKeySETUVMOJOLLYMX-UHFFFAOYSA-N
XLogP5.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.24
LogP ≤ 55.74
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one (CID 162070057) is 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1=C1c2ccccc2-c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is SETUVMOJOLLYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11Cl2NO2/c23-13-10-16-18(17(24)11-13)14-8-4-5-9-15(14)19(16)20-22(26)27-21(25-20)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one?
4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 392.24 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorofluoren-9-ylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 162070057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).