N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide

C15H19N3O3 — CID 46190753

IUPACN-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESO=C(CCCCCCc1nc(-c2ccccc2)no1)NO
InChIInChI=1S/C15H19N3O3/c19-13(17-20)10-6-1-2-7-11-14-16-15(18-21-14)12-8-4-3-5-9-12/h3-5,8-9,20H,1-2,6-7,10-11H2,(H,17,19)
InChIKeyDBTNFAVBINYBGQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.73
Rot. Bonds8

About N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide

N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide (PubChem CID 46190753) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
PubChem CID46190753
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
SMILESO=C(CCCCCCc1nc(-c2ccccc2)no1)NO
InChIInChI=1S/C15H19N3O3/c19-13(17-20)10-6-1-2-7-11-14-16-15(18-21-14)12-8-4-3-5-9-12/h3-5,8-9,20H,1-2,6-7,10-11H2,(H,17,19)
InChIKeyDBTNFAVBINYBGQ-UHFFFAOYSA-N
XLogP2.73
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.73
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 N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
The IUPAC name of N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide (CID 46190753) is N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide.
What is the SMILES notation for N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
The canonical SMILES for N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide is O=C(CCCCCCc1nc(-c2ccccc2)no1)NO.
What is the InChIKey of N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
The InChIKey is DBTNFAVBINYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-13(17-20)10-6-1-2-7-11-14-16-15(18-21-14)12-8-4-3-5-9-12/h3-5,8-9,20H,1-2,6-7,10-11H2,(H,17,19).
What are the key properties of N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide?
N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide has a molecular weight of 289.33 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide is sourced from PubChem (CID 46190753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).