N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide

C15H11N3O3S — CID 135357548

IUPACN-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide
SMILESO=C(NO)c1ccc(Sc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11N3O3S/c19-13(18-20)10-6-8-12(9-7-10)22-15-17-16-14(21-15)11-4-2-1-3-5-11/h1-9,20H,(H,18,19)
InChIKeyGRVXTOYDNBLZLW-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.01
Rot. Bonds4

About N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide

N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide (PubChem CID 135357548) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide
PubChem CID135357548
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide
SMILESO=C(NO)c1ccc(Sc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11N3O3S/c19-13(18-20)10-6-8-12(9-7-10)22-15-17-16-14(21-15)11-4-2-1-3-5-11/h1-9,20H,(H,18,19)
InChIKeyGRVXTOYDNBLZLW-UHFFFAOYSA-N
XLogP3.01
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide (CID 135357548) is N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide is O=C(NO)c1ccc(Sc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide?
The InChIKey is GRVXTOYDNBLZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-13(18-20)10-6-8-12(9-7-10)22-15-17-16-14(21-15)11-4-2-1-3-5-11/h1-9,20H,(H,18,19).
What are the key properties of N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide?
N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide has a molecular weight of 313.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 135357548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).