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

C21H31N3O3 — CID 110612675

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCCN(CC)CCOCCNC(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C21H31N3O3/c1-5-24(6-2)12-14-26-13-11-22-20(25)15-19-17(4)27-21(23-19)18-10-8-7-9-16(18)3/h7-10H,5-6,11-15H2,1-4H3,(H,22,25)
InChIKeyQXOPIOBTTZKVBF-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.98
Rot. Bonds11

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

N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110612675) 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-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110612675
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCCN(CC)CCOCCNC(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C21H31N3O3/c1-5-24(6-2)12-14-26-13-11-22-20(25)15-19-17(4)27-21(23-19)18-10-8-7-9-16(18)3/h7-10H,5-6,11-15H2,1-4H3,(H,22,25)
InChIKeyQXOPIOBTTZKVBF-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

N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612676
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-[2-(diethylamino)ethoxy]ethyl]acetamide
CID 110425721
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110624732
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625162
methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424102
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
CID 20955573
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 75456489
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 110612399
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110608808

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110612675) is N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is CCN(CC)CCOCCNC(=O)Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is QXOPIOBTTZKVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-24(6-2)12-14-26-13-11-22-20(25)15-19-17(4)27-21(23-19)18-10-8-7-9-16(18)3/h7-10H,5-6,11-15H2,1-4H3,(H,22,25).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-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-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110612675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).