5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide

C20H24N2O5 — CID 42403444

IUPAC5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1
InChIInChI=1S/C20H24N2O5/c1-6-22(11-13(2)3)20(24)17-10-16(27-21-17)12-26-18-8-7-15(14(4)23)9-19(18)25-5/h7-10H,2,6,11-12H2,1,3-5H3
InChIKeyKMSIUKVNXQGUFY-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.50
Rot. Bonds9

About 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide

5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide (PubChem CID 42403444) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
PubChem CID42403444
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1
InChIInChI=1S/C20H24N2O5/c1-6-22(11-13(2)3)20(24)17-10-16(27-21-17)12-26-18-8-7-15(14(4)23)9-19(18)25-5/h7-10H,2,6,11-12H2,1,3-5H3
InChIKeyKMSIUKVNXQGUFY-UHFFFAOYSA-N
XLogP3.50
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78803448
5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 56704290
N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42288730
5-[(4-acetylphenoxy)methyl]-N-[(2R)-butan-2-yl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 95215232
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide (CID 42403444) is 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide is C=C(C)CN(CC)C(=O)c1cc(COc2ccc(C(C)=O)cc2OC)on1.
What is the InChIKey of 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KMSIUKVNXQGUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-6-22(11-13(2)3)20(24)17-10-16(27-21-17)12-26-18-8-7-15(14(4)23)9-19(18)25-5/h7-10H,2,6,11-12H2,1,3-5H3.
What are the key properties of 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-ethyl-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42403444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).