N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C12H11N3O4 — CID 108514273

IUPACN-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccccc2O)no1
InChIInChI=1S/C12H11N3O4/c1-7-6-10(15-19-7)14-12(18)11(17)13-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,17)(H,14,15,18)
InChIKeyZBHBKHLIKZLIDN-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.27
Rot. Bonds2

About N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 108514273) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID108514273
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccccc2O)no1
InChIInChI=1S/C12H11N3O4/c1-7-6-10(15-19-7)14-12(18)11(17)13-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,17)(H,14,15,18)
InChIKeyZBHBKHLIKZLIDN-UHFFFAOYSA-N
XLogP1.27
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamoylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 48528626
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
CID 51080556
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N-(2,5-difluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108524041
butyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoacetyl]amino]benzoate
CID 108514593
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812172
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108968909
3-[(5-methyl-1,2-oxazol-3-yl)amino]-2,3-dioxopropanoic acid
CID 130735467
N'-(5-methyl-1,2-oxazol-3-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508730

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 108514273) is N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)Nc2ccccc2O)no1.
What is the InChIKey of N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is ZBHBKHLIKZLIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-7-6-10(15-19-7)14-12(18)11(17)13-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,17)(H,14,15,18).
What are the key properties of N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 261.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 108514273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).