2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide

C20H20N4O3S — CID 91184019

IUPAC2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1nc(-c2cccnc2)sc1C
InChIInChI=1S/C20H20N4O3S/c1-13-19(23-20(28-13)14-8-6-10-22-11-14)27-12-15-7-4-5-9-16(15)17(24-26-3)18(25)21-2/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyRHQUSZHWIZFVIW-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.19
Rot. Bonds7

About 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide

2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide (PubChem CID 91184019) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide
PubChem CID91184019
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1nc(-c2cccnc2)sc1C
InChIInChI=1S/C20H20N4O3S/c1-13-19(23-20(28-13)14-8-6-10-22-11-14)27-12-15-7-4-5-9-16(15)17(24-26-3)18(25)21-2/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyRHQUSZHWIZFVIW-UHFFFAOYSA-N
XLogP3.19
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.19
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

(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
2-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54236155
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-[2-[[3-chloro-5-(1-hydroxy-1-phenylethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59971089
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
CID 54271565
CID 91390445
CID 91390445
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
(2E)-2-[2-[[2-(2,2-dichloroethenyl)-4-methylphenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87559446
(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane
CID 172959408

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide (CID 91184019) is 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide is CNC(=O)C(=NOC)c1ccccc1COc1nc(-c2cccnc2)sc1C.
What is the InChIKey of 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide?
The InChIKey is RHQUSZHWIZFVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-19(23-20(28-13)14-8-6-10-22-11-14)27-12-15-7-4-5-9-16(15)17(24-26-3)18(25)21-2/h4-11H,12H2,1-3H3,(H,21,25).
What are the key properties of 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide?
2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide is sourced from PubChem (CID 91184019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).