2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H23N5O3 — CID 71872563

About 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 71872563) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 71872563
• Molecular Formula: C16H23N5O3
• Molecular Weight: 333.39 g/mol
• Exact Mass: 333.18
• IUPAC Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CN2CCC(N(C)Cc3ncc(C)o3)C2)no1
• InChI: InChI=1S/C16H23N5O3/c1-11-6-14(19-24-11)18-15(22)9-21-5-4-13(8-21)20(3)10-16-17-7-12(2)23-16/h6-7,13H,4-5,8-10H2,1-3H3,(H,18,19,22)
• InChIKey: LJRZTGFGBCRMJA-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 87.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.39
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 71872563) is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCC(N(C)Cc3ncc(C)o3)C2)no1.

What is the InChIKey of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is LJRZTGFGBCRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-6-14(19-24-11)18-15(22)9-21-5-4-13(8-21)20(3)10-16-17-7-12(2)23-16/h6-7,13H,4-5,8-10H2,1-3H3,(H,18,19,22).

What are the key properties of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71872563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).