2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide

C21H28N4O4 — CID 112771327

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C21H28N4O4/c1-15-18(16(2)29-23-15)14-21(26)22-19-4-3-17(24-5-9-27-10-6-24)13-20(19)25-7-11-28-12-8-25/h3-4,13H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyXQYDAWVYCFHUIR-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.15
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide (PubChem CID 112771327) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
PubChem CID112771327
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C21H28N4O4/c1-15-18(16(2)29-23-15)14-21(26)22-19-4-3-17(24-5-9-27-10-6-24)13-20(19)25-7-11-28-12-8-25/h3-4,13H,5-12,14H2,1-2H3,(H,22,26)
InChIKeyXQYDAWVYCFHUIR-UHFFFAOYSA-N
XLogP2.15
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544318
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 112808713
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18081333
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112761780
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627594
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 18132576
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide (CID 112771327) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide is Cc1noc(C)c1CC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The InChIKey is XQYDAWVYCFHUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-15-18(16(2)29-23-15)14-21(26)22-19-4-3-17(24-5-9-27-10-6-24)13-20(19)25-7-11-28-12-8-25/h3-4,13H,5-12,14H2,1-2H3,(H,22,26).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 112771327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).