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

C19H26N4O2 — CID 96512266

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 96512266) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
• PubChem CID: 96512266
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide
• SMILES: CCc1cnc(CN(C(C)=O)[C@@H]2CCN(CCc3ccncc3)C2)o1
• InChI: InChI=1S/C19H26N4O2/c1-3-18-12-21-19(25-18)14-23(15(2)24)17-7-11-22(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1-2H3/t17-/m1/s1
• InChIKey: JJLLCVGSCZNEJE-QGZVFWFLSA-N
• XLogP: 2.30
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide (CID 96512266) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide.

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

The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)[C@@H]2CCN(CCc3ccncc3)C2)o1.

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

The InChIKey is JJLLCVGSCZNEJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-18-12-21-19(25-18)14-23(15(2)24)17-7-11-22(13-17)10-6-16-4-8-20-9-5-16/h4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1-2H3/t17-/m1/s1.

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 96512266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).