2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C10H9N3O4 — CID 114183968

IUPAC2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ncon1)c1cccc(O)c1O
InChIInChI=1S/C10H9N3O4/c14-7-3-1-2-6(9(7)15)10(16)11-4-8-12-5-17-13-8/h1-3,5,14-15H,4H2,(H,11,16)
InChIKeyCQXKMDPWXSDJGI-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.41
Rot. Bonds3

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

2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 114183968) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID114183968
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ncon1)c1cccc(O)c1O
InChIInChI=1S/C10H9N3O4/c14-7-3-1-2-6(9(7)15)10(16)11-4-8-12-5-17-13-8/h1-3,5,14-15H,4H2,(H,11,16)
InChIKeyCQXKMDPWXSDJGI-UHFFFAOYSA-N
XLogP0.41
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
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-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indole-7-carboxamide
CID 106406322
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432
3-(ethylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408519
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 114183968) is 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is O=C(NCc1ncon1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is CQXKMDPWXSDJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c14-7-3-1-2-6(9(7)15)10(16)11-4-8-12-5-17-13-8/h1-3,5,14-15H,4H2,(H,11,16).
What are the key properties of 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 235.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 114183968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).