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

C16H13N3O3S — CID 76853308

IUPACN-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=C(NO)c1cccc(-c2nc(CSc3ccccc3)no2)c1
InChIInChI=1S/C16H13N3O3S/c20-15(18-21)11-5-4-6-12(9-11)16-17-14(19-22-16)10-23-13-7-2-1-3-8-13/h1-9,21H,10H2,(H,18,20)
InChIKeyYQTNNKCFDHODAE-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.15
Rot. Bonds5

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

N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 76853308) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID76853308
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=C(NO)c1cccc(-c2nc(CSc3ccccc3)no2)c1
InChIInChI=1S/C16H13N3O3S/c20-15(18-21)11-5-4-6-12(9-11)16-17-14(19-22-16)10-23-13-7-2-1-3-8-13/h1-9,21H,10H2,(H,18,20)
InChIKeyYQTNNKCFDHODAE-UHFFFAOYSA-N
XLogP3.15
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.15
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-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 76853308) is N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide is O=C(NO)c1cccc(-c2nc(CSc3ccccc3)no2)c1.
What is the InChIKey of N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is YQTNNKCFDHODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-15(18-21)11-5-4-6-12(9-11)16-17-14(19-22-16)10-23-13-7-2-1-3-8-13/h1-9,21H,10H2,(H,18,20).
What are the key properties of N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 327.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 76853308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).