3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide

C16H21N5O3 — CID 45242027

About 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide

3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 45242027) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 45242027
• Molecular Formula: C16H21N5O3
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.16
• IUPAC Name: 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
• SMILES: CCc1cc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)on1
• InChI: InChI=1S/C16H21N5O3/c1-3-12-6-14(24-19-12)16(23)17-8-11-4-5-21(10-11)13-7-15(22)20(2)18-9-13/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,23)
• InChIKey: ITPVIASAZWCEKJ-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide (CID 45242027) is 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)on1.

What is the InChIKey of 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?

The InChIKey is ITPVIASAZWCEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-12-6-14(24-19-12)16(23)17-8-11-4-5-21(10-11)13-7-15(22)20(2)18-9-13/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,23).

What are the key properties of 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide?

3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45242027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).