N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C16H20N2O4 — CID 110619681

IUPACN-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOCCCCNC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H20N2O4/c1-20-9-4-3-8-17-16(19)14-11-15(22-18-14)12-6-5-7-13(10-12)21-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyOGWIFAGBXVNECN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.51
Rot. Bonds8

About N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 110619681) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID110619681
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOCCCCNC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H20N2O4/c1-20-9-4-3-8-17-16(19)14-11-15(22-18-14)12-6-5-7-13(10-12)21-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyOGWIFAGBXVNECN-UHFFFAOYSA-N
XLogP2.51
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
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
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 90503716
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
N-[2-(4-fluorophenyl)-2-oxoethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619541
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-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 110619681) is N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COCCCCNC(=O)c1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OGWIFAGBXVNECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-20-9-4-3-8-17-16(19)14-11-15(22-18-14)12-6-5-7-13(10-12)21-2/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110619681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).