N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide

C13H18ClN6O4P — CID 155525566

IUPACN'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCOP(C)(=O)NCCNc1nonc1/C(=N/c1cccc(Cl)c1)NO
InChIInChI=1S/C13H18ClN6O4P/c1-23-25(2,22)16-7-6-15-12-11(19-24-20-12)13(18-21)17-10-5-3-4-9(14)8-10/h3-5,8,21H,6-7H2,1-2H3,(H,15,20)(H,16,22)(H,17,18)
InChIKeyULSCUMQIWFWDJH-UHFFFAOYSA-N
MW388.75 g/mol
LogP2.25
Rot. Bonds8

About N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide

N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 155525566) has the molecular formula C13H18ClN6O4P and a molecular weight of 388.75 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID155525566
Molecular FormulaC13H18ClN6O4P
Molecular Weight388.75 g/mol
Exact Mass388.08
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCOP(C)(=O)NCCNc1nonc1/C(=N/c1cccc(Cl)c1)NO
InChIInChI=1S/C13H18ClN6O4P/c1-23-25(2,22)16-7-6-15-12-11(19-24-20-12)13(18-21)17-10-5-3-4-9(14)8-10/h3-5,8,21H,6-7H2,1-2H3,(H,15,20)(H,16,22)(H,17,18)
InChIKeyULSCUMQIWFWDJH-UHFFFAOYSA-N
XLogP2.25
TPSA133.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.75
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide (CID 155525566) is N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide is COP(C)(=O)NCCNc1nonc1/C(=N/c1cccc(Cl)c1)NO.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is ULSCUMQIWFWDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN6O4P/c1-23-25(2,22)16-7-6-15-12-11(19-24-20-12)13(18-21)17-10-5-3-4-9(14)8-10/h3-5,8,21H,6-7H2,1-2H3,(H,15,20)(H,16,22)(H,17,18).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide?
N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 388.75 g/mol, XLogP of 2.25, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 155525566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).