2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide

C22H33N5O3 — CID 171719232

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 171719232) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide
• PubChem CID: 171719232
• Molecular Formula: C22H33N5O3
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.26
• IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide
• SMILES: Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@@](CC(=O)NC(C)C)(C(C)C)C3)[nH]n2)on1
• InChI: InChI=1S/C22H33N5O3/c1-13(2)22(12-21(29)23-14(3)4)7-6-16(11-22)18-10-19(26-25-18)24-20(28)9-17-8-15(5)27-30-17/h8,10,13-14,16H,6-7,9,11-12H2,1-5H3,(H,23,29)(H2,24,25,26,28)/t16-,22-/m1/s1
• InChIKey: VKGJLJAAOUGWII-OPAMFIHVSA-N
• XLogP: 3.71
• TPSA: 112.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide?

The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 171719232) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide?

The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide is Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@@](CC(=O)NC(C)C)(C(C)C)C3)[nH]n2)on1.

What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide?

The InChIKey is VKGJLJAAOUGWII-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-13(2)22(12-21(29)23-14(3)4)7-6-16(11-22)18-10-19(26-25-18)24-20(28)9-17-8-15(5)27-30-17/h8,10,13-14,16H,6-7,9,11-12H2,1-5H3,(H,23,29)(H2,24,25,26,28)/t16-,22-/m1/s1.

What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide?

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3R)-3-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propan-2-ylcyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 171719232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).