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

C13H11Cl2NO3 — CID 13423445

IUPAC2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one
SMILESCCCc1cc(=O)on1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO3/c1-2-3-9-7-12(17)19-16(9)13(18)10-5-4-8(14)6-11(10)15/h4-7H,2-3H2,1H3
InChIKeyNKFKPGUGIJYFGM-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.39
Rot. Bonds3

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

2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one (PubChem CID 13423445) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one
PubChem CID13423445
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one
SMILESCCCc1cc(=O)on1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO3/c1-2-3-9-7-12(17)19-16(9)13(18)10-5-4-8(14)6-11(10)15/h4-7H,2-3H2,1H3
InChIKeyNKFKPGUGIJYFGM-UHFFFAOYSA-N
XLogP3.39
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.39
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-propyl-1,2-oxazol-5-one?
The IUPAC name of 2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one (CID 13423445) is 2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one.
What is the SMILES notation for 2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one?
The canonical SMILES for 2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one is CCCc1cc(=O)on1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one?
The InChIKey is NKFKPGUGIJYFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-2-3-9-7-12(17)19-16(9)13(18)10-5-4-8(14)6-11(10)15/h4-7H,2-3H2,1H3.
What are the key properties of 2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one?
2-(2,4-dichlorobenzoyl)-3-propyl-1,2-oxazol-5-one has a molecular weight of 300.14 g/mol, XLogP of 3.39, 3 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-propyl-1,2-oxazol-5-one is sourced from PubChem (CID 13423445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).