2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H16N2O5 — CID 2695574

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C)on3)ccc12
InChIInChI=1S/C17H16N2O5/c1-3-11-7-17(21)23-14-8-12(4-5-13(11)14)22-9-16(20)18-15-6-10(2)24-19-15/h4-8H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyWUXMJYDEBLXMFY-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2695574) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2695574
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C)on3)ccc12
InChIInChI=1S/C17H16N2O5/c1-3-11-7-17(21)23-14-8-12(4-5-13(11)14)22-9-16(20)18-15-6-10(2)24-19-15/h4-8H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyWUXMJYDEBLXMFY-UHFFFAOYSA-N
XLogP2.67
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 39017642
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2695574) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C)on3)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WUXMJYDEBLXMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-3-11-7-17(21)23-14-8-12(4-5-13(11)14)22-9-16(20)18-15-6-10(2)24-19-15/h4-8H,3,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 328.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2695574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).