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

C10H8ClN5O2 — CID 5368165

IUPAC4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N/N=C\c1ccccc1Cl
InChIInChI=1S/C10H8ClN5O2/c11-7-4-2-1-3-6(7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17)/b13-5-
InChIKeyUVOMLBOQNYUYTK-ACAGNQJTSA-N
MW265.66 g/mol
LogP1.07
Rot. Bonds3

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

4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 5368165) has the molecular formula C10H8ClN5O2 and a molecular weight of 265.66 g/mol. Its IUPAC name is 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
PubChem CID5368165
Molecular FormulaC10H8ClN5O2
Molecular Weight265.66 g/mol
Exact Mass265.04
IUPAC Name4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N/N=C\c1ccccc1Cl
InChIInChI=1S/C10H8ClN5O2/c11-7-4-2-1-3-6(7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17)/b13-5-
InChIKeyUVOMLBOQNYUYTK-ACAGNQJTSA-N
XLogP1.07
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]-5-(4-methylphenyl)triazole-4-carboxamide
CID 6889546
4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5339905
4-amino-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5497402
4-amino-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 1360529
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2,3-dichlorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 1247798
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-chlorophenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
CID 2047083
4-amino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 135909224
4-amino-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 137089066
4-amino-N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 781445
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
4-amino-N-[(4-bromo-2,5-dimethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 1004986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide (CID 5368165) is 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)N/N=C\c1ccccc1Cl.
What is the InChIKey of 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UVOMLBOQNYUYTK-ACAGNQJTSA-N. The full InChI is InChI=1S/C10H8ClN5O2/c11-7-4-2-1-3-6(7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17)/b13-5-.
What are the key properties of 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 265.66 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 5368165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).