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

C24H20F2N4O2 — CID 78835275

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 78835275) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
• PubChem CID: 78835275
• Molecular Formula: C24H20F2N4O2
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(Cc1ccncc1)Cc1cccnc1
• InChI: InChI=1S/C24H20F2N4O2/c25-19-3-4-20(21(26)12-19)22-14-29-23(32-22)5-6-24(31)30(15-17-7-10-27-11-8-17)16-18-2-1-9-28-13-18/h1-4,7-14H,5-6,15-16H2
• InChIKey: WXDQUDYKTGWWFQ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide (CID 78835275) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide.

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

The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(Cc1ccncc1)Cc1cccnc1.

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

The InChIKey is WXDQUDYKTGWWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-19-3-4-20(21(26)12-19)22-14-29-23(32-22)5-6-24(31)30(15-17-7-10-27-11-8-17)16-18-2-1-9-28-13-18/h1-4,7-14H,5-6,15-16H2.

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 434.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 78835275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).