2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one

C11H7Cl2NO3 — CID 13423444

IUPAC2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one
SMILESCc1cc(=O)on1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NO3/c1-6-4-10(15)17-14(6)11(16)8-3-2-7(12)5-9(8)13/h2-5H,1H3
InChIKeyNXMKQAGJXCXUDN-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.75
Rot. Bonds1

About 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one

2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one (PubChem CID 13423444) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one
PubChem CID13423444
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Name2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one
SMILESCc1cc(=O)on1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2NO3/c1-6-4-10(15)17-14(6)11(16)8-3-2-7(12)5-9(8)13/h2-5H,1H3
InChIKeyNXMKQAGJXCXUDN-UHFFFAOYSA-N
XLogP2.75
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
The IUPAC name of 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one (CID 13423444) is 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one is Cc1cc(=O)on1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
The InChIKey is NXMKQAGJXCXUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3/c1-6-4-10(15)17-14(6)11(16)8-3-2-7(12)5-9(8)13/h2-5H,1H3.
What are the key properties of 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one?
2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one has a molecular weight of 272.09 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorobenzoyl)-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 13423444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).