3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide

C23H25ClN2O4 — CID 46474233

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C23H25ClN2O4/c1-14-11-19(28-3)20(29-4)12-18(14)15(2)26-22(27)9-10-23-25-13-21(30-23)16-5-7-17(24)8-6-16/h5-8,11-13,15H,9-10H2,1-4H3,(H,26,27)
InChIKeyKNEWYLBBMOVZNW-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.13
Rot. Bonds8

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide (PubChem CID 46474233) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
PubChem CID46474233
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C23H25ClN2O4/c1-14-11-19(28-3)20(29-4)12-18(14)15(2)26-22(27)9-10-23-25-13-21(30-23)16-5-7-17(24)8-6-16/h5-8,11-13,15H,9-10H2,1-4H3,(H,26,27)
InChIKeyKNEWYLBBMOVZNW-UHFFFAOYSA-N
XLogP5.13
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
N-[1-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51310753
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784946
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide
CID 60585877
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55638461
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
CID 46446935
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide (CID 46474233) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide is COc1cc(C)c(C(C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide?
The InChIKey is KNEWYLBBMOVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-14-11-19(28-3)20(29-4)12-18(14)15(2)26-22(27)9-10-23-25-13-21(30-23)16-5-7-17(24)8-6-16/h5-8,11-13,15H,9-10H2,1-4H3,(H,26,27).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide has a molecular weight of 428.92 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 46474233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).