(2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide

C16H20N4O3 — CID 54022190

IUPAC(2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1c(C)cccc1Oc1nn(C)cc1C
InChIInChI=1S/C16H20N4O3/c1-10-7-6-8-12(23-16-11(2)9-20(4)18-16)13(10)14(19-22-5)15(21)17-3/h6-9H,1-5H3,(H,17,21)/b19-14+
InChIKeyKZRZOZZSUICYMI-XMHGGMMESA-N
MW316.36 g/mol
LogP1.93
Rot. Bonds5

About (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 54022190) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide
PubChem CID54022190
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1c(C)cccc1Oc1nn(C)cc1C
InChIInChI=1S/C16H20N4O3/c1-10-7-6-8-12(23-16-11(2)9-20(4)18-16)13(10)14(19-22-5)15(21)17-3/h6-9H,1-5H3,(H,17,21)/b19-14+
InChIKeyKZRZOZZSUICYMI-XMHGGMMESA-N
XLogP1.93
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide (CID 54022190) is (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1c(C)cccc1Oc1nn(C)cc1C.
What is the InChIKey of (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is KZRZOZZSUICYMI-XMHGGMMESA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-7-6-8-12(23-16-11(2)9-20(4)18-16)13(10)14(19-22-5)15(21)17-3/h6-9H,1-5H3,(H,17,21)/b19-14+.
What are the key properties of (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 316.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(1,4-dimethylpyrazol-3-yl)oxy-6-methylphenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 54022190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).