3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide

C25H29N3O2 — CID 41399574

IUPAC3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4)cc3C)o2)cc1C
InChIInChI=1S/C25H29N3O2/c1-17-6-7-20(14-18(17)2)23-16-26-25(30-23)11-10-24(29)27-22-9-8-21(15-19(22)3)28-12-4-5-13-28/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,29)
InChIKeyOGNIIOPFKIKGKP-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.44
Rot. Bonds6

About 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 41399574) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID41399574
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4)cc3C)o2)cc1C
InChIInChI=1S/C25H29N3O2/c1-17-6-7-20(14-18(17)2)23-16-26-25(30-23)11-10-24(29)27-22-9-8-21(15-19(22)3)28-12-4-5-13-28/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,29)
InChIKeyOGNIIOPFKIKGKP-UHFFFAOYSA-N
XLogP5.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)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-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16594353
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16597692
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754
1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30901863
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
CID 33314358
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 29324939
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55615243

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide (CID 41399574) is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4)cc3C)o2)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is OGNIIOPFKIKGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-6-7-20(14-18(17)2)23-16-26-25(30-23)11-10-24(29)27-22-9-8-21(15-19(22)3)28-12-4-5-13-28/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,29).
What are the key properties of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide?
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 403.53 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 41399574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).