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

C18H14N4O5 — CID 135588690

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O5/c1-11-16(17(21-27-11)13-5-3-2-4-6-13)18(24)20-19-10-12-7-8-15(23)14(9-12)22(25)26/h2-10,23H,1H3,(H,20,24)/b19-10+
InChIKeyFUERAKUMRQGERX-VXLYETTFSA-N
MW366.33 g/mol
LogP3.03
Rot. Bonds5

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

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135588690) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135588690
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O5/c1-11-16(17(21-27-11)13-5-3-2-4-6-13)18(24)20-19-10-12-7-8-15(23)14(9-12)22(25)26/h2-10,23H,1H3,(H,20,24)/b19-10+
InChIKeyFUERAKUMRQGERX-VXLYETTFSA-N
XLogP3.03
TPSA130.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxy-3-methylbenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135489040
N'-{3-hydroxy-4-nitrobenzylidene}-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9618000
N'-(3-hydroxybenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9563365
N'-{3-nitro-4-methoxybenzylidene}-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 9563960
N'-(2-hydroxy-4-methylbenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135508971
2-hydroxy-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]benzohydrazide
CID 135563407
N-[(3-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 832152
N-[(2-hydroxy-3-methylphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 902890
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1019708
N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219031
4-[(E)-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 126456818
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 136174448

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 135588690) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is FUERAKUMRQGERX-VXLYETTFSA-N. The full InChI is InChI=1S/C18H14N4O5/c1-11-16(17(21-27-11)13-5-3-2-4-6-13)18(24)20-19-10-12-7-8-15(23)14(9-12)22(25)26/h2-10,23H,1H3,(H,20,24)/b19-10+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 366.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135588690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).