5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide

C30H35F2N5O4 — CID 166021587

About 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide

5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 166021587) has the molecular formula C30H35F2N5O4 and a molecular weight of 567.64 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 166021587
• Molecular Formula: C30H35F2N5O4
• Molecular Weight: 567.64 g/mol
• Exact Mass: 567.27
• IUPAC Name: 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: CC1(O)CCC(N2CC(CC(=O)NC(C)(C)c3ccccn3)(NC(=O)c3cc(-c4ccc(F)cc4F)on3)C2)CC1
• InChI: InChI=1S/C30H35F2N5O4/c1-28(2,25-6-4-5-13-33-25)34-26(38)16-30(17-37(18-30)20-9-11-29(3,40)12-10-20)35-27(39)23-15-24(41-36-23)21-8-7-19(31)14-22(21)32/h4-8,13-15,20,40H,9-12,16-18H2,1-3H3,(H,34,38)(H,35,39)
• InChIKey: JAYLQYMQCIHRLA-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 120.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.64
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide (CID 166021587) is 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide is CC1(O)CCC(N2CC(CC(=O)NC(C)(C)c3ccccn3)(NC(=O)c3cc(-c4ccc(F)cc4F)on3)C2)CC1.

What is the InChIKey of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is JAYLQYMQCIHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N5O4/c1-28(2,25-6-4-5-13-33-25)34-26(38)16-30(17-37(18-30)20-9-11-29(3,40)12-10-20)35-27(39)23-15-24(41-36-23)21-8-7-19(31)14-22(21)32/h4-8,13-15,20,40H,9-12,16-18H2,1-3H3,(H,34,38)(H,35,39).

What are the key properties of 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide?

5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 567.64 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-difluorophenyl)-N-[1-(4-hydroxy-4-methylcyclohexyl)-3-[2-oxo-2-(2-pyridin-2-ylpropan-2-ylamino)ethyl]azetidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166021587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).