3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide

C29H26N4O2S — CID 108809175

About 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108809175) has the molecular formula C29H26N4O2S and a molecular weight of 494.62 g/mol. Its IUPAC name is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide
• PubChem CID: 108809175
• Molecular Formula: C29H26N4O2S
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.18
• IUPAC Name: 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide
• SMILES: CC(C)c1ccc(-c2cnc(CCC(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)o2)cc1
• InChI: InChI=1S/C29H26N4O2S/c1-19(2)20-8-10-21(11-9-20)26-17-31-28(35-26)13-12-27(34)32-24-7-3-5-22(15-24)25-18-36-29(33-25)23-6-4-14-30-16-23/h3-11,14-19H,12-13H2,1-2H3,(H,32,34)
• InChIKey: CFBLFFUTYKGXBL-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide?

The IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108809175) is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide.

What is the SMILES notation for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide?

The canonical SMILES for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)o2)cc1.

What is the InChIKey of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide?

The InChIKey is CFBLFFUTYKGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2S/c1-19(2)20-8-10-21(11-9-20)26-17-31-28(35-26)13-12-27(34)32-24-7-3-5-22(15-24)25-18-36-29(33-25)23-6-4-14-30-16-23/h3-11,14-19H,12-13H2,1-2H3,(H,32,34).

What are the key properties of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide?

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 494.62 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108809175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).