N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride

C16H22Cl2FN3O2 — CID 119506652

IUPACN-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCCNCCNC(=O)CCc1ncc(-c2ccccc2F)o1.Cl.Cl
InChIInChI=1S/C16H20FN3O2.2ClH/c1-2-18-9-10-19-15(21)7-8-16-20-11-14(22-16)12-5-3-4-6-13(12)17;;/h3-6,11,18H,2,7-10H2,1H3,(H,19,21);2*1H
InChIKeyQZPJSKWLGKMFRP-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.98
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride

N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (PubChem CID 119506652) has the molecular formula C16H22Cl2FN3O2 and a molecular weight of 378.28 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
PubChem CID119506652
Molecular FormulaC16H22Cl2FN3O2
Molecular Weight378.28 g/mol
Exact Mass377.11
IUPAC NameN-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
SMILESCCNCCNC(=O)CCc1ncc(-c2ccccc2F)o1.Cl.Cl
InChIInChI=1S/C16H20FN3O2.2ClH/c1-2-18-9-10-19-15(21)7-8-16-20-11-14(22-16)12-5-3-4-6-13(12)17;;/h3-6,11,18H,2,7-10H2,1H3,(H,19,21);2*1H
InChIKeyQZPJSKWLGKMFRP-UHFFFAOYSA-N
XLogP2.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 29494556
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86836130
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535420
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 18137319
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55707004

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride (CID 119506652) is N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is CCNCCNC(=O)CCc1ncc(-c2ccccc2F)o1.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
The InChIKey is QZPJSKWLGKMFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.2ClH/c1-2-18-9-10-19-15(21)7-8-16-20-11-14(22-16)12-5-3-4-6-13(12)17;;/h3-6,11,18H,2,7-10H2,1H3,(H,19,21);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride has a molecular weight of 378.28 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119506652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).