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

C10H9N3O4 — CID 104938878

IUPAC3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(O)cc(O)c2)n1
InChIInChI=1S/C10H9N3O4/c1-5-11-10(17-13-5)12-9(16)6-2-7(14)4-8(15)3-6/h2-4,14-15H,1H3,(H,11,12,13,16)
InChIKeyPQHTYOYSQLHSQE-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.04
Rot. Bonds2

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

3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 104938878) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID104938878
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(O)cc(O)c2)n1
InChIInChI=1S/C10H9N3O4/c1-5-11-10(17-13-5)12-9(16)6-2-7(14)4-8(15)3-6/h2-4,14-15H,1H3,(H,11,12,13,16)
InChIKeyPQHTYOYSQLHSQE-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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Related Compounds

4-bromo-3-hydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103872563
3-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115674958
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
2-hydroxy-4-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 113346342
4-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 115735305
2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103520316
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 47045444
N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indole-2-carboxamide
CID 115587298
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 47045451
2-hydroxy-5-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115589350
N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 103618054

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 104938878) is 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(NC(=O)c2cc(O)cc(O)c2)n1.
What is the InChIKey of 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is PQHTYOYSQLHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-5-11-10(17-13-5)12-9(16)6-2-7(14)4-8(15)3-6/h2-4,14-15H,1H3,(H,11,12,13,16).
What are the key properties of 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-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 3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 104938878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).