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

C19H17N3O3 — CID 902890

IUPACN-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C=NNC(=O)c2c(-c3ccccc3)noc2C)c1O
InChIInChI=1S/C19H17N3O3/c1-12-7-6-10-15(18(12)23)11-20-21-19(24)16-13(2)25-22-17(16)14-8-4-3-5-9-14/h3-11,23H,1-2H3,(H,21,24)
InChIKeyJJXLOARZADSUEB-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.43
Rot. Bonds4

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

N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 902890) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID902890
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C=NNC(=O)c2c(-c3ccccc3)noc2C)c1O
InChIInChI=1S/C19H17N3O3/c1-12-7-6-10-15(18(12)23)11-20-21-19(24)16-13(2)25-22-17(16)14-8-4-3-5-9-14/h3-11,23H,1-2H3,(H,21,24)
InChIKeyJJXLOARZADSUEB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 902890) is N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cccc(C=NNC(=O)c2c(-c3ccccc3)noc2C)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is JJXLOARZADSUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-7-6-10-15(18(12)23)11-20-21-19(24)16-13(2)25-22-17(16)14-8-4-3-5-9-14/h3-11,23H,1-2H3,(H,21,24).
What are the key properties of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(2-hydroxy-3-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-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 902890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).