N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C20H29N3O3 — CID 75456489

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCN(CC)CCOCCNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H29N3O3/c1-3-23(4-2)13-15-25-14-12-21-19(24)10-11-20-22-16-18(26-20)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3,(H,21,24)
InChIKeyZVJIQTAGRWGYKB-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.75
Rot. Bonds12

About N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 75456489) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID75456489
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCN(CC)CCOCCNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H29N3O3/c1-3-23(4-2)13-15-25-14-12-21-19(24)10-11-20-22-16-18(26-20)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3,(H,21,24)
InChIKeyZVJIQTAGRWGYKB-UHFFFAOYSA-N
XLogP2.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.75
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-methoxyethoxy)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86985390
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
CID 61010033
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
N-[2-(diethylamino)-2-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18167213
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717389
3-[2-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]ethyldisulfanyl]propanoic acid
CID 166422727
N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60565951
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784762

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 75456489) is N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CCN(CC)CCOCCNC(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is ZVJIQTAGRWGYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-23(4-2)13-15-25-14-12-21-19(24)10-11-20-22-16-18(26-20)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 2.75, 12 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]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 75456489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).