3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide

C17H14ClN3O5 — CID 155535519

IUPAC3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NO)cc1OCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN3O5/c1-24-13-6-5-10(16(22)20-23)8-14(13)25-9-15-19-17(26-21-15)11-3-2-4-12(18)7-11/h2-8,23H,9H2,1H3,(H,20,22)
InChIKeyVGMMCWHMDQYMOS-UHFFFAOYSA-N
MW375.77 g/mol
LogP3.10
Rot. Bonds6

About 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide

3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide (PubChem CID 155535519) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
PubChem CID155535519
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Name3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NO)cc1OCc1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN3O5/c1-24-13-6-5-10(16(22)20-23)8-14(13)25-9-15-19-17(26-21-15)11-3-2-4-12(18)7-11/h2-8,23H,9H2,1H3,(H,20,22)
InChIKeyVGMMCWHMDQYMOS-UHFFFAOYSA-N
XLogP3.10
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide?
The IUPAC name of 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide (CID 155535519) is 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide?
The canonical SMILES for 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NO)cc1OCc1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide?
The InChIKey is VGMMCWHMDQYMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c1-24-13-6-5-10(16(22)20-23)8-14(13)25-9-15-19-17(26-21-15)11-3-2-4-12(18)7-11/h2-8,23H,9H2,1H3,(H,20,22).
What are the key properties of 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide?
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide has a molecular weight of 375.77 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 155535519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).