N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H19N3O4 — CID 135460435

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1O
InChIInChI=1S/C20H19N3O4/c1-3-26-17-11-14(9-10-16(17)24)12-21-22-20(25)18-13(2)27-23-19(18)15-7-5-4-6-8-15/h4-12,24H,3H2,1-2H3,(H,22,25)/b21-12+
InChIKeyMHJFSGZGZZUZMA-CIAFOILYSA-N
MW365.39 g/mol
LogP3.52
Rot. Bonds6

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135460435) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135460435
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1O
InChIInChI=1S/C20H19N3O4/c1-3-26-17-11-14(9-10-16(17)24)12-21-22-20(25)18-13(2)27-23-19(18)15-7-5-4-6-8-15/h4-12,24H,3H2,1-2H3,(H,22,25)/b21-12+
InChIKeyMHJFSGZGZZUZMA-CIAFOILYSA-N
XLogP3.52
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-isopropoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 6873548
N'-{3-ethoxy-2-hydroxy-5-nitrobenzylidene}-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135489041
N'-(4-ethoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9555452
N'-(2-hydroxy-3-methoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135452588
N'-(3-methoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 6877462
N'-[(E)-(2-Methoxyphenyl)methylidene]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 46497555
N'-(4-hydroxy-3-methoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135490274
N'-(2,3-dimethoxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 6897246
N'-(3-hydroxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9563365
5-methyl-3-phenyl-N'-[(1E)-(3,4,5-trimethoxyphenyl)methylene]isoxazole-4-carbohydrazide
CID 20846818
N'-(2-hydroxy-4-methylbenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135508971
N-[(4-ethoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 332757

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 135460435) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MHJFSGZGZZUZMA-CIAFOILYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-26-17-11-14(9-10-16(17)24)12-21-22-20(25)18-13(2)27-23-19(18)15-7-5-4-6-8-15/h4-12,24H,3H2,1-2H3,(H,22,25)/b21-12+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135460435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).