3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide

C24H26F2N2O2 — CID 46688995

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide (PubChem CID 46688995) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
• PubChem CID: 46688995
• Molecular Formula: C24H26F2N2O2
• Molecular Weight: 412.48 g/mol
• Exact Mass: 412.20
• IUPAC Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1
• InChI: InChI=1S/C24H26F2N2O2/c1-14(2)16-7-5-8-17(15(3)4)24(16)28-21(29)11-12-22-27-13-20(30-22)23-18(25)9-6-10-19(23)26/h5-10,13-15H,11-12H2,1-4H3,(H,28,29)
• InChIKey: QNTDVHRDBCSJJZ-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.48
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide?

The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide (CID 46688995) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide.

What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide?

The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1.

What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide?

The InChIKey is QNTDVHRDBCSJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c1-14(2)16-7-5-8-17(15(3)4)24(16)28-21(29)11-12-22-27-13-20(30-22)23-18(25)9-6-10-19(23)26/h5-10,13-15H,11-12H2,1-4H3,(H,28,29).

What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide?

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide has a molecular weight of 412.48 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide is sourced from PubChem (CID 46688995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).