N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C29H32F2N6O3 — CID 164607284

About N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 164607284) has the molecular formula C29H32F2N6O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 164607284
• Molecular Formula: C29H32F2N6O3
• Molecular Weight: 550.61 g/mol
• Exact Mass: 550.25
• IUPAC Name: N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
• SMILES: O=C(NC1CCN(C2CCCCC2)CC1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1
• InChI: InChI=1S/C29H32F2N6O3/c30-18-7-8-20(22(31)15-18)25-16-24(36-40-25)27(39)34-23-9-14-37(19-5-2-1-3-6-19)17-21(23)26(38)35-29(10-11-29)28-32-12-4-13-33-28/h4,7-8,12-13,15-16,19,21,23H,1-3,5-6,9-11,14,17H2,(H,34,39)(H,35,38)
• InChIKey: ZXSAFSOFFNBTGX-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 113.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.61
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 164607284) is N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCN(C2CCCCC2)CC1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1.

What is the InChIKey of N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is ZXSAFSOFFNBTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O3/c30-18-7-8-20(22(31)15-18)25-16-24(36-40-25)27(39)34-23-9-14-37(19-5-2-1-3-6-19)17-21(23)26(38)35-29(10-11-29)28-32-12-4-13-33-28/h4,7-8,12-13,15-16,19,21,23H,1-3,5-6,9-11,14,17H2,(H,34,39)(H,35,38).

What are the key properties of N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide?

N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 550.61 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164607284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).