2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide

C28H28F5N5O3 — CID 58428550

About 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide

2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 58428550) has the molecular formula C28H28F5N5O3 and a molecular weight of 577.55 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
• PubChem CID: 58428550
• Molecular Formula: C28H28F5N5O3
• Molecular Weight: 577.55 g/mol
• Exact Mass: 577.21
• IUPAC Name: 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
• SMILES: O=C(Cc1ccc(N2CCC(NC(=O)c3c(F)cccc3F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C28H28F5N5O3/c29-19-5-4-6-20(30)23(19)26(40)35-18-9-13-37(14-10-18)22-8-7-17(16-34-22)15-21(39)24-25(28(31,32)33)36-27(41-24)38-11-2-1-3-12-38/h4-8,16,18H,1-3,9-15H2,(H,35,40)
• InChIKey: VAPAZLKRDJFQEQ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.55
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide (CID 58428550) is 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide is O=C(Cc1ccc(N2CCC(NC(=O)c3c(F)cccc3F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

What is the InChIKey of 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

The InChIKey is VAPAZLKRDJFQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F5N5O3/c29-19-5-4-6-20(30)23(19)26(40)35-18-9-13-37(14-10-18)22-8-7-17(16-34-22)15-21(39)24-25(28(31,32)33)36-27(41-24)38-11-2-1-3-12-38/h4-8,16,18H,1-3,9-15H2,(H,35,40).

What are the key properties of 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 577.55 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 58428550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).