N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide

C21H31N3O3 — CID 110612676

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCCN(CC)CCOCCNC(=O)Cc1nc(-c2cccc(C)c2)oc1C
InChIInChI=1S/C21H31N3O3/c1-5-24(6-2)11-13-26-12-10-22-20(25)15-19-17(4)27-21(23-19)18-9-7-8-16(3)14-18/h7-9,14H,5-6,10-13,15H2,1-4H3,(H,22,25)
InChIKeyMWXKEDXYURVMCW-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.98
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110612676) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110612676
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCCN(CC)CCOCCNC(=O)Cc1nc(-c2cccc(C)c2)oc1C
InChIInChI=1S/C21H31N3O3/c1-5-24(6-2)11-13-26-12-10-22-20(25)15-19-17(4)27-21(23-19)18-9-7-8-16(3)14-18/h7-9,14H,5-6,10-13,15H2,1-4H3,(H,22,25)
InChIKeyMWXKEDXYURVMCW-UHFFFAOYSA-N
XLogP2.98
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.98
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

2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
CID 110425721
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612675
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422110
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110419474
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627643
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51336690
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110630113

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110612676) is N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide is CCN(CC)CCOCCNC(=O)Cc1nc(-c2cccc(C)c2)oc1C.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is MWXKEDXYURVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-24(6-2)11-13-26-12-10-22-20(25)15-19-17(4)27-21(23-19)18-9-7-8-16(3)14-18/h7-9,14H,5-6,10-13,15H2,1-4H3,(H,22,25).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110612676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).