5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide

C19H24N2O5 — CID 25366237

IUPAC5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NCCCOC(C)C)no2)c1
InChIInChI=1S/C19H24N2O5/c1-13(2)24-9-5-8-20-19(23)18-11-17(26-21-18)12-25-16-7-4-6-15(10-16)14(3)22/h4,6-7,10-11,13H,5,8-9,12H2,1-3H3,(H,20,23)
InChIKeyWGGCIYSQQWBCHW-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.00
Rot. Bonds10

About 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 25366237) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID25366237
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NCCCOC(C)C)no2)c1
InChIInChI=1S/C19H24N2O5/c1-13(2)24-9-5-8-20-19(23)18-11-17(26-21-18)12-25-16-7-4-6-15(10-16)14(3)22/h4,6-7,10-11,13H,5,8-9,12H2,1-3H3,(H,20,23)
InChIKeyWGGCIYSQQWBCHW-UHFFFAOYSA-N
XLogP3.00
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-acetylphenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 45250276
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46557184
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
CID 43214917
4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118787053
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110124
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19459070
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide (CID 25366237) is 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)NCCCOC(C)C)no2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WGGCIYSQQWBCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13(2)24-9-5-8-20-19(23)18-11-17(26-21-18)12-25-16-7-4-6-15(10-16)14(3)22/h4,6-7,10-11,13H,5,8-9,12H2,1-3H3,(H,20,23).
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25366237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).