5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide

C16H20N2O3 — CID 110317131

IUPAC5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H20N2O3/c1-3-4-5-9-17-16(19)14-11-15(21-18-14)12-7-6-8-13(10-12)20-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyZKWOPNRREWLROX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.27
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide (PubChem CID 110317131) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
PubChem CID110317131
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H20N2O3/c1-3-4-5-9-17-16(19)14-11-15(21-18-14)12-7-6-8-13(10-12)20-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyZKWOPNRREWLROX-UHFFFAOYSA-N
XLogP3.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.27
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-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619681
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
N-[2-(4-fluorophenyl)-2-oxoethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619541
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide (CID 110317131) is 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide is CCCCCNC(=O)c1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZKWOPNRREWLROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-4-5-9-17-16(19)14-11-15(21-18-14)12-7-6-8-13(10-12)20-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110317131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).