4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline

C23H19N3O — CID 177388394

IUPAC4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline
SMILESCc1ccc(N/N=C(\c2ccccc2)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C23H19N3O/c1-17-12-14-20(15-13-17)24-25-23(19-10-6-3-7-11-19)21-16-22(27-26-21)18-8-4-2-5-9-18/h2-16,24H,1H3/b25-23+
InChIKeyWGNXXYXLMGHBAQ-WJTDDFOZSA-N
MW353.43 g/mol
LogP5.51
Rot. Bonds5

About 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline

4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline (PubChem CID 177388394) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline.

Molecular Properties

Compound Name4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline
PubChem CID177388394
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline
SMILESCc1ccc(N/N=C(\c2ccccc2)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C23H19N3O/c1-17-12-14-20(15-13-17)24-25-23(19-10-6-3-7-11-19)21-16-22(27-26-21)18-8-4-2-5-9-18/h2-16,24H,1H3/b25-23+
InChIKeyWGNXXYXLMGHBAQ-WJTDDFOZSA-N
XLogP5.51
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
CID 138454533
N-[1-(5-phenyl-1,2-oxazol-3-yl)ethylidene]hydroxylamine
CID 137224922
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
CID 95738529
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146021559
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
CID 135051683
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline?
The IUPAC name of 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline (CID 177388394) is 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline.
What is the SMILES notation for 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline?
The canonical SMILES for 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline is Cc1ccc(N/N=C(\c2ccccc2)c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline?
The InChIKey is WGNXXYXLMGHBAQ-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-12-14-20(15-13-17)24-25-23(19-10-6-3-7-11-19)21-16-22(27-26-21)18-8-4-2-5-9-18/h2-16,24H,1H3/b25-23+.
What are the key properties of 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline?
4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline has a molecular weight of 353.43 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline is sourced from PubChem (CID 177388394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).