N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide

C10H9N3O2S — CID 106410065

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
SMILESO=C(NCc1ncon1)c1ccccc1S
InChIInChI=1S/C10H9N3O2S/c14-10(7-3-1-2-4-8(7)16)11-5-9-12-6-15-13-9/h1-4,6,16H,5H2,(H,11,14)
InChIKeyGFWLOVGXXGHZMS-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.29
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide

N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide (PubChem CID 106410065) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
PubChem CID106410065
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
SMILESO=C(NCc1ncon1)c1ccccc1S
InChIInChI=1S/C10H9N3O2S/c14-10(7-3-1-2-4-8(7)16)11-5-9-12-6-15-13-9/h1-4,6,16H,5H2,(H,11,14)
InChIKeyGFWLOVGXXGHZMS-UHFFFAOYSA-N
XLogP1.29
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106397156
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-5-sulfanylbenzamide
CID 106410082
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide (CID 106410065) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide is O=C(NCc1ncon1)c1ccccc1S.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide?
The InChIKey is GFWLOVGXXGHZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-10(7-3-1-2-4-8(7)16)11-5-9-12-6-15-13-9/h1-4,6,16H,5H2,(H,11,14).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide has a molecular weight of 235.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide is sourced from PubChem (CID 106410065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).