1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea

C11H12N6O4 — CID 135400466

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cc(/C=N\NC(=O)Nc2nonc2N)ccc1O
InChIInChI=1S/C11H12N6O4/c1-20-8-4-6(2-3-7(8)18)5-13-15-11(19)14-10-9(12)16-21-17-10/h2-5,18H,1H3,(H2,12,16)(H2,14,15,17,19)/b13-5-
InChIKeyWSNSZUWXQSALIL-ACAGNQJTSA-N
MW292.26 g/mol
LogP0.52
Rot. Bonds4

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea

1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea (PubChem CID 135400466) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
PubChem CID135400466
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cc(/C=N\NC(=O)Nc2nonc2N)ccc1O
InChIInChI=1S/C11H12N6O4/c1-20-8-4-6(2-3-7(8)18)5-13-15-11(19)14-10-9(12)16-21-17-10/h2-5,18H,1H3,(H2,12,16)(H2,14,15,17,19)/b13-5-
InChIKeyWSNSZUWXQSALIL-ACAGNQJTSA-N
XLogP0.52
TPSA147.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea 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

1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 682276
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
CID 135782124
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-[(E)-[4-[4-[4-[(E)-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoylhydrazinylidene]methyl]-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methylideneamino]urea
CID 177462924
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 137206095
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea (CID 135400466) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea is COc1cc(/C=N\NC(=O)Nc2nonc2N)ccc1O.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The InChIKey is WSNSZUWXQSALIL-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-20-8-4-6(2-3-7(8)18)5-13-15-11(19)14-10-9(12)16-21-17-10/h2-5,18H,1H3,(H2,12,16)(H2,14,15,17,19)/b13-5-.
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea has a molecular weight of 292.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 135400466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).