N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide

C24H32F2N4O5S — CID 177148692

About N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide

N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 177148692) has the molecular formula C24H32F2N4O5S and a molecular weight of 526.61 g/mol. Its IUPAC name is N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 177148692
• Molecular Formula: C24H32F2N4O5S
• Molecular Weight: 526.61 g/mol
• Exact Mass: 526.21
• IUPAC Name: N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide
• SMILES: O=C(NC1CC2CCC(C1)N2S(=O)(=O)CC1C2CN(CC3CC3(F)F)CC21)c1cc(C2COC2)on1
• InChI: InChI=1S/C24H32F2N4O5S/c25-24(26)6-14(24)7-29-8-18-19(9-29)20(18)12-36(32,33)30-16-1-2-17(30)4-15(3-16)27-23(31)21-5-22(35-28-21)13-10-34-11-13/h5,13-20H,1-4,6-12H2,(H,27,31)
• InChIKey: VHSBIEUVKTVHGF-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 104.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.61
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide (CID 177148692) is N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide is O=C(NC1CC2CCC(C1)N2S(=O)(=O)CC1C2CN(CC3CC3(F)F)CC21)c1cc(C2COC2)on1.

What is the InChIKey of N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?

The InChIKey is VHSBIEUVKTVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O5S/c25-24(26)6-14(24)7-29-8-18-19(9-29)20(18)12-36(32,33)30-16-1-2-17(30)4-15(3-16)27-23(31)21-5-22(35-28-21)13-10-34-11-13/h5,13-20H,1-4,6-12H2,(H,27,31).

What are the key properties of N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide?

N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 526.61 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[[3-[(2,2-difluorocyclopropyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-(oxetan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 177148692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).