2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone

C34H32F5N5O4 — CID 58429012

About 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone

2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 58429012) has the molecular formula C34H32F5N5O4 and a molecular weight of 669.65 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 58429012
• Molecular Formula: C34H32F5N5O4
• Molecular Weight: 669.65 g/mol
• Exact Mass: 669.24
• IUPAC Name: 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: O=C(Cc1ccc(N2CCN(C(=O)C(O)c3cc(F)cc(F)c3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C34H32F5N5O4/c35-25-17-24(18-26(36)19-25)29(46)32(47)43-14-12-42(13-15-43)28-7-6-21(20-40-28)16-27(45)30-31(34(37,38)39)41-33(48-30)44-10-8-23(9-11-44)22-4-2-1-3-5-22/h1-7,17-20,23,29,46H,8-16H2
• InChIKey: IAHZIMHQHOGWFY-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 103.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.65
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 58429012) is 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(N2CCN(C(=O)C(O)c3cc(F)cc(F)c3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.

What is the InChIKey of 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is IAHZIMHQHOGWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F5N5O4/c35-25-17-24(18-26(36)19-25)29(46)32(47)43-14-12-42(13-15-43)28-7-6-21(20-40-28)16-27(45)30-31(34(37,38)39)41-33(48-30)44-10-8-23(9-11-44)22-4-2-1-3-5-22/h1-7,17-20,23,29,46H,8-16H2.

What are the key properties of 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone?

2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 669.65 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-difluorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58429012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).