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

C19H17N3O4 — CID 135490274

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1O
InChIInChI=1S/C19H17N3O4/c1-12-17(18(22-26-12)14-6-4-3-5-7-14)19(24)21-20-11-13-8-9-15(23)16(10-13)25-2/h3-11,23H,1-2H3,(H,21,24)/b20-11+
InChIKeyMEMSKAPWIXHDBD-RGVLZGJSSA-N
MW351.36 g/mol
LogP3.13
Rot. Bonds5

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

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135490274) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135490274
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1O
InChIInChI=1S/C19H17N3O4/c1-12-17(18(22-26-12)14-6-4-3-5-7-14)19(24)21-20-11-13-8-9-15(23)16(10-13)25-2/h3-11,23H,1-2H3,(H,21,24)/b20-11+
InChIKeyMEMSKAPWIXHDBD-RGVLZGJSSA-N
XLogP3.13
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.13
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'-(2-hydroxy-3-methylbenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135489040
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-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-phenyl-1,2-oxazole-3-carboxamide
CID 168287775
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1241138
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 135490274) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MEMSKAPWIXHDBD-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-17(18(22-26-12)14-6-4-3-5-7-14)19(24)21-20-11-13-8-9-15(23)16(10-13)25-2/h3-11,23H,1-2H3,(H,21,24)/b20-11+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135490274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).