N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C23H34N6O3 — CID 164879724

About N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 164879724) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
• PubChem CID: 164879724
• Molecular Formula: C23H34N6O3
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.27
• IUPAC Name: N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
• SMILES: Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](N4CC(C)(C)NC4=O)C3)n(C(C)(C)C)n2)on1
• InChI: InChI=1S/C23H34N6O3/c1-14-9-17(32-27-14)11-20(30)24-19-12-18(29(26-19)22(2,3)4)15-7-8-16(10-15)28-13-23(5,6)25-21(28)31/h9,12,15-16H,7-8,10-11,13H2,1-6H3,(H,25,31)(H,24,26,30)/t15-,16+/m0/s1
• InChIKey: MAUCQUIJWVTKIJ-JKSUJKDBSA-N
• XLogP: 3.56
• TPSA: 105.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?

The IUPAC name of N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 164879724) is N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

What is the SMILES notation for N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?

The canonical SMILES for N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](N4CC(C)(C)NC4=O)C3)n(C(C)(C)C)n2)on1.

What is the InChIKey of N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?

The InChIKey is MAUCQUIJWVTKIJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-14-9-17(32-27-14)11-20(30)24-19-12-18(29(26-19)22(2,3)4)15-7-8-16(10-15)28-13-23(5,6)25-21(28)31/h9,12,15-16H,7-8,10-11,13H2,1-6H3,(H,25,31)(H,24,26,30)/t15-,16+/m0/s1.

What are the key properties of N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?

N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 164879724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).