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

C17H18N6O4 — CID 122253223

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

5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 122253223) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 122253223
• Molecular Formula: C17H18N6O4
• Molecular Weight: 370.37 g/mol
• Exact Mass: 370.14
• IUPAC Name: 5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1nc(CNC(=O)c2cc(-c3ccco3)on2)nc(N2CCCC2)n1
• InChI: InChI=1S/C17H18N6O4/c1-25-17-20-14(19-16(21-17)23-6-2-3-7-23)10-18-15(24)11-9-13(27-22-11)12-5-4-8-26-12/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,24)
• InChIKey: OXIJZVSCOHJTDK-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 119.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.37
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 122253223) is 5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide is COc1nc(CNC(=O)c2cc(-c3ccco3)on2)nc(N2CCCC2)n1.

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

The InChIKey is OXIJZVSCOHJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-25-17-20-14(19-16(21-17)23-6-2-3-7-23)10-18-15(24)11-9-13(27-22-11)12-5-4-8-26-12/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,24).

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

5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122253223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).