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

C10H10N4O3 — CID 102739312

IUPAC4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(N)c(O)c2)o1
InChIInChI=1S/C10H10N4O3/c1-5-13-14-10(17-5)12-9(16)6-2-3-7(11)8(15)4-6/h2-4,15H,11H2,1H3,(H,12,14,16)
InChIKeyQRPBYLIRGJREKU-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.92
Rot. Bonds2

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

4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 102739312) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID102739312
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(N)c(O)c2)o1
InChIInChI=1S/C10H10N4O3/c1-5-13-14-10(17-5)12-9(16)6-2-3-7(11)8(15)4-6/h2-4,15H,11H2,1H3,(H,12,14,16)
InChIKeyQRPBYLIRGJREKU-UHFFFAOYSA-N
XLogP0.92
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107980577
4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 102852138
3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105071356
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
4-amino-N-(2,6-diethylphenyl)-3-hydroxybenzamide
CID 107073824
4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 137006878
6-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103543458
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
CID 107075861

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 102739312) is 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(N)c(O)c2)o1.
What is the InChIKey of 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is QRPBYLIRGJREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-5-13-14-10(17-5)12-9(16)6-2-3-7(11)8(15)4-6/h2-4,15H,11H2,1H3,(H,12,14,16).
What are the key properties of 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 234.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 102739312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).