N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C18H20N6O4 — CID 122320418

About N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 122320418) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 122320418
• Molecular Formula: C18H20N6O4
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.15
• IUPAC Name: N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• SMILES: CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cc(-c2ccco2)on1
• InChI: InChI=1S/C18H20N6O4/c1-23(2)16-13(11-19-18(21-16)24-5-8-26-9-6-24)20-17(25)12-10-15(28-22-12)14-4-3-7-27-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,20,25)
• InChIKey: XMARBYBHCHNUGK-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 109.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.40
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 122320418) is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1cc(-c2ccco2)on1.

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

The InChIKey is XMARBYBHCHNUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-23(2)16-13(11-19-18(21-16)24-5-8-26-9-6-24)20-17(25)12-10-15(28-22-12)14-4-3-7-27-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,20,25).

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

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122320418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).