5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one

C11H10Cl2N2O2 — CID 121223352

IUPAC5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one
SMILESCN(C)C1=NC(=O)C(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C11H10Cl2N2O2/c1-15(2)11-14-10(16)9(17-11)7-4-3-6(12)5-8(7)13/h3-5,9H,1-2H3
InChIKeyLGSNRLWKVJCXQG-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.51
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one

5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one (PubChem CID 121223352) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one
PubChem CID121223352
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one
SMILESCN(C)C1=NC(=O)C(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C11H10Cl2N2O2/c1-15(2)11-14-10(16)9(17-11)7-4-3-6(12)5-8(7)13/h3-5,9H,1-2H3
InChIKeyLGSNRLWKVJCXQG-UHFFFAOYSA-N
XLogP2.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one (CID 121223352) is 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one is CN(C)C1=NC(=O)C(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one?
The InChIKey is LGSNRLWKVJCXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-15(2)11-14-10(16)9(17-11)7-4-3-6(12)5-8(7)13/h3-5,9H,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one?
5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one has a molecular weight of 273.12 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-(dimethylamino)-1,3-oxazol-4-one is sourced from PubChem (CID 121223352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).