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

C18H19N5O3 — CID 122352365

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

5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 122352365) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 122352365
• Molecular Formula: C18H19N5O3
• Molecular Weight: 353.38 g/mol
• Exact Mass: 353.15
• IUPAC Name: 5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(CNC(=O)c2cc(-c3ccco3)on2)nc(N2CCCC2)n1
• InChI: InChI=1S/C18H19N5O3/c1-12-9-13(21-18(20-12)23-6-2-3-7-23)11-19-17(24)14-10-16(26-22-14)15-5-4-8-25-15/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,19,24)
• InChIKey: ZXVZTZBBMREGKX-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.38
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 122352365) is 5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(CNC(=O)c2cc(-c3ccco3)on2)nc(N2CCCC2)n1.

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

The InChIKey is ZXVZTZBBMREGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-9-13(21-18(20-12)23-6-2-3-7-23)11-19-17(24)14-10-16(26-22-14)15-5-4-8-25-15/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,19,24).

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

5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122352365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).