N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide

C18H27N5O2 — CID 71872501

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872501) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 71872501
• Molecular Formula: C18H27N5O2
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.22
• IUPAC Name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide
• SMILES: CCc1cnc(CN(C(C)=O)C2CCN(CCc3cnn(C)c3)C2)o1
• InChI: InChI=1S/C18H27N5O2/c1-4-17-10-19-18(25-17)13-23(14(2)24)16-6-8-22(12-16)7-5-15-9-20-21(3)11-15/h9-11,16H,4-8,12-13H2,1-3H3
• InChIKey: YIROOSRFVNAEPO-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 71872501) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(CCc3cnn(C)c3)C2)o1.

What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?

The InChIKey is YIROOSRFVNAEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-17-10-19-18(25-17)13-23(14(2)24)16-6-8-22(12-16)7-5-15-9-20-21(3)11-15/h9-11,16H,4-8,12-13H2,1-3H3.

What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide?

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).