2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide

C20H28N2O3 — CID 16879241

IUPAC2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C20H28N2O3/c1-3-4-5-6-7-8-13-21-20(23)15-17-14-19(25-22-17)16-9-11-18(24-2)12-10-16/h9-12,14H,3-8,13,15H2,1-2H3,(H,21,23)
InChIKeyLKAVEXZCHFVEKX-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.37
Rot. Bonds11

About 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide

2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide (PubChem CID 16879241) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
PubChem CID16879241
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C20H28N2O3/c1-3-4-5-6-7-8-13-21-20(23)15-17-14-19(25-22-17)16-9-11-18(24-2)12-10-16/h9-12,14H,3-8,13,15H2,1-2H3,(H,21,23)
InChIKeyLKAVEXZCHFVEKX-UHFFFAOYSA-N
XLogP4.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-prop-2-enylacetamide
CID 16879106
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
N-(4-methoxybutyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619673
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)acetamide
CID 16878767
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 16879285

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide (CID 16879241) is 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide is CCCCCCCCNC(=O)Cc1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide?
The InChIKey is LKAVEXZCHFVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-4-5-6-7-8-13-21-20(23)15-17-14-19(25-22-17)16-9-11-18(24-2)12-10-16/h9-12,14H,3-8,13,15H2,1-2H3,(H,21,23).
What are the key properties of 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide?
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide has a molecular weight of 344.46 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide is sourced from PubChem (CID 16879241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).