2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide

C20H26N6O3 — CID 164879643

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 164879643) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
• PubChem CID: 164879643
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
• SMILES: Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](Oc4cn[nH]c4C(C)C)C3)[nH]n2)on1
• InChI: InChI=1S/C20H26N6O3/c1-11(2)20-17(10-21-25-20)28-14-5-4-13(7-14)16-9-18(24-23-16)22-19(27)8-15-6-12(3)26-29-15/h6,9-11,13-14H,4-5,7-8H2,1-3H3,(H,21,25)(H2,22,23,24,27)/t13-,14+/m1/s1
• InChIKey: CPNQYDAOMZXUHB-KGLIPLIRSA-N
• XLogP: 3.45
• TPSA: 121.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?

The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 164879643) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?

The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide is Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](Oc4cn[nH]c4C(C)C)C3)[nH]n2)on1.

What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?

The InChIKey is CPNQYDAOMZXUHB-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-11(2)20-17(10-21-25-20)28-14-5-4-13(7-14)16-9-18(24-23-16)22-19(27)8-15-6-12(3)26-29-15/h6,9-11,13-14H,4-5,7-8H2,1-3H3,(H,21,25)(H2,22,23,24,27)/t13-,14+/m1/s1.

What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(5-propan-2-yl-1H-pyrazol-4-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 164879643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).