2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid

C11H11N5O5 — CID 7784018

IUPAC2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid
SMILESCOc1c(O)ccc(C(=O)O)c1/C=N/Nc1nonc1N
InChIInChI=1S/C11H11N5O5/c1-20-8-6(5(11(18)19)2-3-7(8)17)4-13-14-10-9(12)15-21-16-10/h2-4,17H,1H3,(H2,12,15)(H,14,16)(H,18,19)/b13-4+
InChIKeyJFNTYYIQARFXNT-YIXHJXPBSA-N
MW293.24 g/mol
LogP0.51
Rot. Bonds5

About 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid

2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid (PubChem CID 7784018) has the molecular formula C11H11N5O5 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid
PubChem CID7784018
Molecular FormulaC11H11N5O5
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC Name2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid
SMILESCOc1c(O)ccc(C(=O)O)c1/C=N/Nc1nonc1N
InChIInChI=1S/C11H11N5O5/c1-20-8-6(5(11(18)19)2-3-7(8)17)4-13-14-10-9(12)15-21-16-10/h2-4,17H,1H3,(H2,12,15)(H,14,16)(H,18,19)/b13-4+
InChIKeyJFNTYYIQARFXNT-YIXHJXPBSA-N
XLogP0.51
TPSA156.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid with MolForge

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Related Compounds

3-N-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
CID 3107803
1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135400466
4-amino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 135909224
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4,6-dibromophenol
CID 135446667
3-N-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
CID 3590293
2-amino-3-methoxyterephthalic acid
CID 132516468
2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 50885253
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249
6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 135504515

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid?
The IUPAC name of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid (CID 7784018) is 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid.
What is the SMILES notation for 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid?
The canonical SMILES for 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid is COc1c(O)ccc(C(=O)O)c1/C=N/Nc1nonc1N.
What is the InChIKey of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid?
The InChIKey is JFNTYYIQARFXNT-YIXHJXPBSA-N. The full InChI is InChI=1S/C11H11N5O5/c1-20-8-6(5(11(18)19)2-3-7(8)17)4-13-14-10-9(12)15-21-16-10/h2-4,17H,1H3,(H2,12,15)(H,14,16)(H,18,19)/b13-4+.
What are the key properties of 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid?
2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid has a molecular weight of 293.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-hydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 7784018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).