2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H16ClN3O5 — CID 7702948

IUPAC2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2cc(C)on2)cc(Cl)c1OC
InChIInChI=1S/C15H16ClN3O5/c1-9-4-13(19-24-9)18-14(20)8-23-17-7-10-5-11(16)15(22-3)12(6-10)21-2/h4-7H,8H2,1-3H3,(H,18,19,20)/b17-7-
InChIKeyYVQMUXQXSKQEKQ-IDUWFGFVSA-N
MW353.76 g/mol
LogP2.64
Rot. Bonds7

About 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7702948) has the molecular formula C15H16ClN3O5 and a molecular weight of 353.76 g/mol. Its IUPAC name is 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7702948
Molecular FormulaC15H16ClN3O5
Molecular Weight353.76 g/mol
Exact Mass353.08
IUPAC Name2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(/C=N\OCC(=O)Nc2cc(C)on2)cc(Cl)c1OC
InChIInChI=1S/C15H16ClN3O5/c1-9-4-13(19-24-9)18-14(20)8-23-17-7-10-5-11(16)15(22-3)12(6-10)21-2/h4-7H,8H2,1-3H3,(H,18,19,20)/b17-7-
InChIKeyYVQMUXQXSKQEKQ-IDUWFGFVSA-N
XLogP2.64
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013358
methyl 4-[[2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7702814
N-(5-methyl-1,2-oxazol-3-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705533
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
methyl 3-[[2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4-methylbenzoate
CID 7702965
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N,N-di(propan-2-yl)acetamide
CID 7702937
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7894277
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(cyclohexylcarbamoyl)acetamide
CID 7702990
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
CID 7706874
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 3922392
1-(azepan-1-yl)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 7702672

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7702948) is 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cc(/C=N\OCC(=O)Nc2cc(C)on2)cc(Cl)c1OC.
What is the InChIKey of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YVQMUXQXSKQEKQ-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H16ClN3O5/c1-9-4-13(19-24-9)18-14(20)8-23-17-7-10-5-11(16)15(22-3)12(6-10)21-2/h4-7H,8H2,1-3H3,(H,18,19,20)/b17-7-.
What are the key properties of 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 353.76 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7702948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).