N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H23FN2O2 — CID 48670903

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(CCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1
InChIInChI=1S/C22H23FN2O2/c1-15-3-4-17(16(2)13-15)11-12-24-21(26)9-10-22-25-14-20(27-22)18-5-7-19(23)8-6-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,26)
InChIKeyXRQIOKCHALCJPQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.39
Rot. Bonds7

About N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 48670903) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID48670903
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(CCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1
InChIInChI=1S/C22H23FN2O2/c1-15-3-4-17(16(2)13-15)11-12-24-21(26)9-10-22-25-14-20(27-22)18-5-7-19(23)8-6-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,26)
InChIKeyXRQIOKCHALCJPQ-UHFFFAOYSA-N
XLogP4.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide 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-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 33428902
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 48670903) is N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(CCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is XRQIOKCHALCJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-3-4-17(16(2)13-15)11-12-24-21(26)9-10-22-25-14-20(27-22)18-5-7-19(23)8-6-18/h3-8,13-14H,9-12H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 366.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 48670903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).