2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H21N3O5 — CID 24511661

IUPAC2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(/C=N/OC(C)C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C17H21N3O5/c1-5-23-14-7-6-13(9-15(14)22-4)10-18-25-12(3)17(21)19-16-8-11(2)24-20-16/h6-10,12H,5H2,1-4H3,(H,19,20,21)/b18-10+
InChIKeyNMCUCLQWHOFXHJ-VCHYOVAHSA-N
MW347.37 g/mol
LogP2.77
Rot. Bonds8

About 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 24511661) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID24511661
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1ccc(/C=N/OC(C)C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C17H21N3O5/c1-5-23-14-7-6-13(9-15(14)22-4)10-18-25-12(3)17(21)19-16-8-11(2)24-20-16/h6-10,12H,5H2,1-4H3,(H,19,20,21)/b18-10+
InChIKeyNMCUCLQWHOFXHJ-VCHYOVAHSA-N
XLogP2.77
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.77
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

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985472
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
2-(4-ethoxy-3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17491956
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)propanamide
CID 18273465
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
CID 7700436
(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7669354
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
(2R)-2-(2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 30237362
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 9384931
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 24511661) is 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCOc1ccc(/C=N/OC(C)C(=O)Nc2cc(C)on2)cc1OC.
What is the InChIKey of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is NMCUCLQWHOFXHJ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-5-23-14-7-6-13(9-15(14)22-4)10-18-25-12(3)17(21)19-16-8-11(2)24-20-16/h6-10,12H,5H2,1-4H3,(H,19,20,21)/b18-10+.
What are the key properties of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 347.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 24511661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).