5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide

C13H11Cl2N3O4 — CID 135348858

IUPAC5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cc(C(=O)NO)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
InChIKeyJFGOILLZIAIYGA-UHFFFAOYSA-N
MW344.15 g/mol
LogP2.07
Rot. Bonds5

About 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide

5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide (PubChem CID 135348858) has the molecular formula C13H11Cl2N3O4 and a molecular weight of 344.15 g/mol. Its IUPAC name is 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
PubChem CID135348858
Molecular FormulaC13H11Cl2N3O4
Molecular Weight344.15 g/mol
Exact Mass343.01
IUPAC Name5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cc(C(=O)NO)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
InChIKeyJFGOILLZIAIYGA-UHFFFAOYSA-N
XLogP2.07
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide (CID 135348858) is 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide is O=C(NCCc1cc(C(=O)NO)no1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
The InChIKey is JFGOILLZIAIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20).
What are the key properties of 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide?
5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide has a molecular weight of 344.15 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135348858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).