4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

C10H9N5O3 — CID 5339905

IUPAC4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C10H9N5O3/c11-9-8(14-18-15-9)10(17)13-12-5-6-2-1-3-7(16)4-6/h1-5,16H,(H2,11,15)(H,13,17)/b12-5+
InChIKeyOFSQWQPIBPWIHK-LFYBBSHMSA-N
MW247.21 g/mol
LogP0.12
Rot. Bonds3

About 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 5339905) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
PubChem CID5339905
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C10H9N5O3/c11-9-8(14-18-15-9)10(17)13-12-5-6-2-1-3-7(16)4-6/h1-5,16H,(H2,11,15)(H,13,17)/b12-5+
InChIKeyOFSQWQPIBPWIHK-LFYBBSHMSA-N
XLogP0.12
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 5399329
4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5368165
N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 41065971
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
CID 5380313
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]triazole-4-carboxamide
CID 92884092
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-triazol-1-ium-4-carboxamide
CID 171653827
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-iodophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1248725
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
N-[(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2693777

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide (CID 5339905) is 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)N/N=C/c1cccc(O)c1.
What is the InChIKey of 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is OFSQWQPIBPWIHK-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-9-8(14-18-15-9)10(17)13-12-5-6-2-1-3-7(16)4-6/h1-5,16H,(H2,11,15)(H,13,17)/b12-5+.
What are the key properties of 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 5339905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).