2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C10H9N3O4 — CID 107689655

IUPAC2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2c(O)cccc2O)o1
InChIInChI=1S/C10H9N3O4/c1-5-12-13-10(17-5)11-9(16)8-6(14)3-2-4-7(8)15/h2-4,14-15H,1H3,(H,11,13,16)
InChIKeyOKFFIEAUFAYCPM-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.04
Rot. Bonds2

About 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 107689655) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID107689655
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2c(O)cccc2O)o1
InChIInChI=1S/C10H9N3O4/c1-5-12-13-10(17-5)11-9(16)8-6(14)3-2-4-7(8)15/h2-4,14-15H,1H3,(H,11,13,16)
InChIKeyOKFFIEAUFAYCPM-UHFFFAOYSA-N
XLogP1.04
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 107689655) is 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2c(O)cccc2O)o1.
What is the InChIKey of 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is OKFFIEAUFAYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-5-12-13-10(17-5)11-9(16)8-6(14)3-2-4-7(8)15/h2-4,14-15H,1H3,(H,11,13,16).
What are the key properties of 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 235.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 107689655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).