5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide

C24H35F3N4O4S — CID 118947283

About 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 118947283) has the molecular formula C24H35F3N4O4S and a molecular weight of 532.63 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 118947283
• Molecular Formula: C24H35F3N4O4S
• Molecular Weight: 532.63 g/mol
• Exact Mass: 532.23
• IUPAC Name: 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1CCN(CCCC(F)(F)F)CC1)c1cc(C2CC2)on1
• InChI: InChI=1S/C24H35F3N4O4S/c25-24(26,27)8-1-9-30-10-6-16(7-11-30)15-36(33,34)31-19-4-5-20(31)13-18(12-19)28-23(32)21-14-22(35-29-21)17-2-3-17/h14,16-20H,1-13,15H2,(H,28,32)/t18?,19-,20+
• InChIKey: ICBAOJBOLXAFLC-IHWFROFDSA-N
• XLogP: 3.66
• TPSA: 95.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.63
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide (CID 118947283) is 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide is O=C(NC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1CCN(CCCC(F)(F)F)CC1)c1cc(C2CC2)on1.

What is the InChIKey of 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is ICBAOJBOLXAFLC-IHWFROFDSA-N. The full InChI is InChI=1S/C24H35F3N4O4S/c25-24(26,27)8-1-9-30-10-6-16(7-11-30)15-36(33,34)31-19-4-5-20(31)13-18(12-19)28-23(32)21-14-22(35-29-21)17-2-3-17/h14,16-20H,1-13,15H2,(H,28,32)/t18?,19-,20+.

What are the key properties of 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 532.63 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(1R,5S)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).