2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H12N2O4 — CID 7762657

IUPAC2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2C=O)no1
InChIInChI=1S/C13H12N2O4/c1-9-6-12(15-19-9)14-13(17)8-18-11-5-3-2-4-10(11)7-16/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyRTMZHWVMSGBEAD-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.81
Rot. Bonds5

About 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7762657) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7762657
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2C=O)no1
InChIInChI=1S/C13H12N2O4/c1-9-6-12(15-19-9)14-13(17)8-18-11-5-3-2-4-10(11)7-16/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyRTMZHWVMSGBEAD-UHFFFAOYSA-N
XLogP1.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527
2-[[2-(2-fluorophenoxy)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110671924
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2479657
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide
CID 24520868
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 836456
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-formylphenoxy)acetamide
CID 7763073
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7762657) is 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccccc2C=O)no1.
What is the InChIKey of 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RTMZHWVMSGBEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-9-6-12(15-19-9)14-13(17)8-18-11-5-3-2-4-10(11)7-16/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).