5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide

C12H12N4O3 — CID 135463633

IUPAC5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C12H12N4O3/c1-7-10(11(13)19-16-7)12(18)15-14-6-8-2-4-9(17)5-3-8/h2-6,17H,13H2,1H3,(H,15,18)/b14-6+
InChIKeyQEEKDWMDOCWVQJ-MKMNVTDBSA-N
MW260.25 g/mol
LogP1.03
Rot. Bonds3

About 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide

5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 135463633) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID135463633
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C12H12N4O3/c1-7-10(11(13)19-16-7)12(18)15-14-6-8-2-4-9(17)5-3-8/h2-6,17H,13H2,1H3,(H,15,18)/b14-6+
InChIKeyQEEKDWMDOCWVQJ-MKMNVTDBSA-N
XLogP1.03
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
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

5-amino-N-[(E)-(3-chlorophenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide
CID 10588704
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136732798
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 2261119
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 135704390
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide (CID 135463633) is 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(N)c1C(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QEEKDWMDOCWVQJ-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-10(11(13)19-16-7)12(18)15-14-6-8-2-4-9(17)5-3-8/h2-6,17H,13H2,1H3,(H,15,18)/b14-6+.
What are the key properties of 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide?
5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135463633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).