N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide

C24H41N7O6S2 — CID 156549860

About N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide

N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide (PubChem CID 156549860) has the molecular formula C24H41N7O6S2 and a molecular weight of 587.77 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide
• PubChem CID: 156549860
• Molecular Formula: C24H41N7O6S2
• Molecular Weight: 587.77 g/mol
• Exact Mass: 587.26
• IUPAC Name: N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide
• SMILES: CC(C)c1nn(C(C)C)cc1CNc1nc(C(=O)NS(=O)(=O)N2CCCN(S(=O)(=O)CC(C)(C)C)CC2)co1
• InChI: InChI=1S/C24H41N7O6S2/c1-17(2)21-19(14-31(27-21)18(3)4)13-25-23-26-20(15-37-23)22(32)28-39(35,36)30-10-8-9-29(11-12-30)38(33,34)16-24(5,6)7/h14-15,17-18H,8-13,16H2,1-7H3,(H,25,26)(H,28,32)
• InChIKey: WSUSIIKPZWMWNE-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 159.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.77
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide (CID 156549860) is N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide is CC(C)c1nn(C(C)C)cc1CNc1nc(C(=O)NS(=O)(=O)N2CCCN(S(=O)(=O)CC(C)(C)C)CC2)co1.

What is the InChIKey of N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide?

The InChIKey is WSUSIIKPZWMWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N7O6S2/c1-17(2)21-19(14-31(27-21)18(3)4)13-25-23-26-20(15-37-23)22(32)28-39(35,36)30-10-8-9-29(11-12-30)38(33,34)16-24(5,6)7/h14-15,17-18H,8-13,16H2,1-7H3,(H,25,26)(H,28,32).

What are the key properties of N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide?

N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide has a molecular weight of 587.77 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).