2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C10H9N3O4 — CID 114183970

IUPAC2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ncon1)c1cc(O)ccc1O
InChIInChI=1S/C10H9N3O4/c14-6-1-2-8(15)7(3-6)10(16)11-4-9-12-5-17-13-9/h1-3,5,14-15H,4H2,(H,11,16)
InChIKeyXAPSTZFDBVYSIX-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.41
Rot. Bonds3

About 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 114183970) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID114183970
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ncon1)c1cc(O)ccc1O
InChIInChI=1S/C10H9N3O4/c14-6-1-2-8(15)7(3-6)10(16)11-4-9-12-5-17-13-9/h1-3,5,14-15H,4H2,(H,11,16)
InChIKeyXAPSTZFDBVYSIX-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945
5-bromo-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399961
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-5-sulfanylbenzamide
CID 106410082
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
2,5-dihydroxy-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111164
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 114183970) is 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is O=C(NCc1ncon1)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is XAPSTZFDBVYSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c14-6-1-2-8(15)7(3-6)10(16)11-4-9-12-5-17-13-9/h1-3,5,14-15H,4H2,(H,11,16).
What are the key properties of 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
2,5-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 2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 114183970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).