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

C26H25N3O2 — CID 69008553

IUPACN-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide
SMILESCCC(=O)N(c1ccccc1C)c1onc(-c2ccc(C)cc2C)c1-c1ccncc1
InChIInChI=1S/C26H25N3O2/c1-5-23(30)29(22-9-7-6-8-18(22)3)26-24(20-12-14-27-15-13-20)25(28-31-26)21-11-10-17(2)16-19(21)4/h6-16H,5H2,1-4H3
InChIKeyWLWQXXVDTOMAHC-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.40
Rot. Bonds5

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

N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide (PubChem CID 69008553) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide
PubChem CID69008553
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide
SMILESCCC(=O)N(c1ccccc1C)c1onc(-c2ccc(C)cc2C)c1-c1ccncc1
InChIInChI=1S/C26H25N3O2/c1-5-23(30)29(22-9-7-6-8-18(22)3)26-24(20-12-14-27-15-13-20)25(28-31-26)21-11-10-17(2)16-19(21)4/h6-16H,5H2,1-4H3
InChIKeyWLWQXXVDTOMAHC-UHFFFAOYSA-N
XLogP6.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide (CID 69008553) is N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide is CCC(=O)N(c1ccccc1C)c1onc(-c2ccc(C)cc2C)c1-c1ccncc1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is WLWQXXVDTOMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-5-23(30)29(22-9-7-6-8-18(22)3)26-24(20-12-14-27-15-13-20)25(28-31-26)21-11-10-17(2)16-19(21)4/h6-16H,5H2,1-4H3.
What are the key properties of N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide?
N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 411.51 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 69008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).