N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C25H29N3O5 — CID 55645598

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C25H29N3O5/c1-4-31-22-16-21(28-10-12-30-13-11-28)23(32-5-2)15-20(22)26-25(29)24-14-19(27-33-24)18-8-6-17(3)7-9-18/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,29)
InChIKeyZBJYKJXKKHOSPU-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.54
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 55645598) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID55645598
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C25H29N3O5/c1-4-31-22-16-21(28-10-12-30-13-11-28)23(32-5-2)15-20(22)26-25(29)24-14-19(27-33-24)18-8-6-17(3)7-9-18/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,29)
InChIKeyZBJYKJXKKHOSPU-UHFFFAOYSA-N
XLogP4.54
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 55645598) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZBJYKJXKKHOSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-4-31-22-16-21(28-10-12-30-13-11-28)23(32-5-2)15-20(22)26-25(29)24-14-19(27-33-24)18-8-6-17(3)7-9-18/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,29).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55645598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).