N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C25H28N4O4 — CID 4794943

IUPACN-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C25H28N4O4/c1-18-23(24(27-33-18)19-5-3-2-4-6-19)25(30)26-21-8-7-20(28-9-13-31-14-10-28)17-22(21)29-11-15-32-16-12-29/h2-8,17H,9-16H2,1H3,(H,26,30)
InChIKeyXJKMZZYBWYHCIU-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.58
Rot. Bonds5

About N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4794943) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4794943
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C25H28N4O4/c1-18-23(24(27-33-18)19-5-3-2-4-6-19)25(30)26-21-8-7-20(28-9-13-31-14-10-28)17-22(21)29-11-15-32-16-12-29/h2-8,17H,9-16H2,1H3,(H,26,30)
InChIKeyXJKMZZYBWYHCIU-UHFFFAOYSA-N
XLogP3.58
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112771327
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 112808713
N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 155912706
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
CID 90893627
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 29251421
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4795536
methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 36930577
1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide
CID 112827176
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 4794943) is N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XJKMZZYBWYHCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-18-23(24(27-33-18)19-5-3-2-4-6-19)25(30)26-21-8-7-20(28-9-13-31-14-10-28)17-22(21)29-11-15-32-16-12-29/h2-8,17H,9-16H2,1H3,(H,26,30).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4794943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).