N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C22H24FN3O2 — CID 110627062

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C22H24FN3O2/c1-15-20(25-22(28-15)17-5-4-6-18(23)13-17)14-21(27)24-12-11-16-7-9-19(10-8-16)26(2)3/h4-10,13H,11-12,14H2,1-3H3,(H,24,27)
InChIKeyRJTWAVUHHYBZDM-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.76
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110627062) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110627062
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C22H24FN3O2/c1-15-20(25-22(28-15)17-5-4-6-18(23)13-17)14-21(27)24-12-11-16-7-9-19(10-8-16)26(2)3/h4-10,13H,11-12,14H2,1-3H3,(H,24,27)
InChIKeyRJTWAVUHHYBZDM-UHFFFAOYSA-N
XLogP3.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide 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-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627645
N-[2-(3-fluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31844590
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110632372
N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide
CID 110426034
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110632482
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 110632792
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 110620662
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(imidazo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 110609939

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110627062) is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is Cc1oc(-c2cccc(F)c2)nc1CC(=O)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is RJTWAVUHHYBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-20(25-22(28-15)17-5-4-6-18(23)13-17)14-21(27)24-12-11-16-7-9-19(10-8-16)26(2)3/h4-10,13H,11-12,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110627062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).