2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

C27H24FN3O3 — CID 39683287

About 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (PubChem CID 39683287) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
• PubChem CID: 39683287
• Molecular Formula: C27H24FN3O3
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.18
• IUPAC Name: 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
• SMILES: CC(C)NC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1
• InChI: InChI=1S/C27H24FN3O3/c1-17(2)30-25(32)15-18-11-13-19(14-12-18)31-26(33)20-7-3-4-8-21(20)27-29-16-24(34-27)22-9-5-6-10-23(22)28/h3-14,16-17H,15H2,1-2H3,(H,30,32)(H,31,33)
• InChIKey: QMIZKZJWVSJYGR-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?

The IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (CID 39683287) is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.

What is the SMILES notation for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?

The canonical SMILES for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cc1.

What is the InChIKey of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?

The InChIKey is QMIZKZJWVSJYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-17(2)30-25(32)15-18-11-13-19(14-12-18)31-26(33)20-7-3-4-8-21(20)27-29-16-24(34-27)22-9-5-6-10-23(22)28/h3-14,16-17H,15H2,1-2H3,(H,30,32)(H,31,33).

What are the key properties of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide has a molecular weight of 457.51 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 39683287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).