5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide

C20H22N6O3 — CID 122326053

About 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 122326053) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 122326053
• Molecular Formula: C20H22N6O3
• Molecular Weight: 394.44 g/mol
• Exact Mass: 394.18
• IUPAC Name: 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)c3cc(C)on3)cc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C20H22N6O3/c1-13-11-18(24-20(21-13)26-7-9-28-10-8-26)22-15-3-5-16(6-4-15)23-19(27)17-12-14(2)29-25-17/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)(H,21,22,24)
• InChIKey: VORBFXUMWJOYMB-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 105.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.44
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide (CID 122326053) is 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3cc(C)on3)cc2)nc(N2CCOCC2)n1.

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

The InChIKey is VORBFXUMWJOYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-13-11-18(24-20(21-13)26-7-9-28-10-8-26)22-15-3-5-16(6-4-15)23-19(27)17-12-14(2)29-25-17/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)(H,21,22,24).

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

5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122326053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).