N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

C19H22N2O5 — CID 171909334

IUPACN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCC1=NOC(CNC(=O)COc2ccc3c(CC)cc(=O)oc3c2)C1
InChIInChI=1S/C19H22N2O5/c1-3-12-7-19(23)25-17-9-14(5-6-16(12)17)24-11-18(22)20-10-15-8-13(4-2)21-26-15/h5-7,9,15H,3-4,8,10-11H2,1-2H3,(H,20,22)
InChIKeyVKOXQLKZVYLKJQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.41
Rot. Bonds7

About N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide

N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 171909334) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID171909334
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCC1=NOC(CNC(=O)COc2ccc3c(CC)cc(=O)oc3c2)C1
InChIInChI=1S/C19H22N2O5/c1-3-12-7-19(23)25-17-9-14(5-6-16(12)17)24-11-18(22)20-10-15-8-13(4-2)21-26-15/h5-7,9,15H,3-4,8,10-11H2,1-2H3,(H,20,22)
InChIKeyVKOXQLKZVYLKJQ-UHFFFAOYSA-N
XLogP2.41
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.41
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

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
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-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide (CID 171909334) is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is CCC1=NOC(CNC(=O)COc2ccc3c(CC)cc(=O)oc3c2)C1.
What is the InChIKey of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is VKOXQLKZVYLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-12-7-19(23)25-17-9-14(5-6-16(12)17)24-11-18(22)20-10-15-8-13(4-2)21-26-15/h5-7,9,15H,3-4,8,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide?
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 358.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 171909334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).