3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

C22H26N4O3S — CID 29324939

About 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 29324939) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 29324939
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2cnc(CCC(=O)Nc3nc(CN4CCOCC4)cs3)o2)cc1C
• InChI: InChI=1S/C22H26N4O3S/c1-15-3-4-17(11-16(15)2)19-12-23-21(29-19)6-5-20(27)25-22-24-18(14-30-22)13-26-7-9-28-10-8-26/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,24,25,27)
• InChIKey: YEPMDDUWIPREFC-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 29324939) is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3nc(CN4CCOCC4)cs3)o2)cc1C.

What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is YEPMDDUWIPREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-3-4-17(11-16(15)2)19-12-23-21(29-19)6-5-20(27)25-22-24-18(14-30-22)13-26-7-9-28-10-8-26/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,24,25,27).

What are the key properties of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 426.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 29324939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).