7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide

C15H18ClN3O3 — CID 46190821

IUPAC7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
SMILESO=C(CCCCCCc1nc(-c2ccccc2Cl)no1)NO
InChIInChI=1S/C15H18ClN3O3/c16-12-8-6-5-7-11(12)15-17-14(22-19-15)10-4-2-1-3-9-13(20)18-21/h5-8,21H,1-4,9-10H2,(H,18,20)
InChIKeyWMMBHKDJRGCVHO-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.39
Rot. Bonds8

About 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide

7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide (PubChem CID 46190821) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
PubChem CID46190821
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
SMILESO=C(CCCCCCc1nc(-c2ccccc2Cl)no1)NO
InChIInChI=1S/C15H18ClN3O3/c16-12-8-6-5-7-11(12)15-17-14(22-19-15)10-4-2-1-3-9-13(20)18-21/h5-8,21H,1-4,9-10H2,(H,18,20)
InChIKeyWMMBHKDJRGCVHO-UHFFFAOYSA-N
XLogP3.39
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide (CID 46190821) is 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide is O=C(CCCCCCc1nc(-c2ccccc2Cl)no1)NO.
What is the InChIKey of 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide?
The InChIKey is WMMBHKDJRGCVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-12-8-6-5-7-11(12)15-17-14(22-19-15)10-4-2-1-3-9-13(20)18-21/h5-8,21H,1-4,9-10H2,(H,18,20).
What are the key properties of 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide?
7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide has a molecular weight of 323.78 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 46190821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).