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

C19H17N3O3 — CID 135508971

IUPACN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c(O)c1
InChIInChI=1S/C19H17N3O3/c1-12-8-9-15(16(23)10-12)11-20-21-19(24)17-13(2)25-22-18(17)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,21,24)/b20-11+
InChIKeyBBDHEHVDSCDJAO-RGVLZGJSSA-N
MW335.36 g/mol
LogP3.43
Rot. Bonds4

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

N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135508971) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135508971
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c(O)c1
InChIInChI=1S/C19H17N3O3/c1-12-8-9-15(16(23)10-12)11-20-21-19(24)17-13(2)25-22-18(17)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,21,24)/b20-11+
InChIKeyBBDHEHVDSCDJAO-RGVLZGJSSA-N
XLogP3.43
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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
5-methyl-3-phenyl-N'-(3-phenyl-2-propenylidene)-4-isoxazolecarbohydrazide
CID 9583373
N'-(2-hydroxy-3-methylbenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135489040
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'-(2-hydroxybenzoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 7535141
N'-(2-bromo-3-phenyl-2-propenylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9563962
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'-(3,5-dibromo-4-hydroxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135572144
N'-{4-hydroxy-3-nitrobenzylidene}-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135588690

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 135508971) is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BBDHEHVDSCDJAO-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-8-9-15(16(23)10-12)11-20-21-19(24)17-13(2)25-22-18(17)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,21,24)/b20-11+.
What are the key properties of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135508971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).