1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C27H36N4O4 — CID 149074943

About 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 149074943) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• PubChem CID: 149074943
• Molecular Formula: C27H36N4O4
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.27
• IUPAC Name: 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• SMILES: CCc1onc(C)c1-c1nc(-c2cccc(OCC(O)CNC)c2)nc(CC2CCOCC2)c1C
• InChI: InChI=1S/C27H36N4O4/c1-5-24-25(18(3)31-35-24)26-17(2)23(13-19-9-11-33-12-10-19)29-27(30-26)20-7-6-8-22(14-20)34-16-21(32)15-28-4/h6-8,14,19,21,28,32H,5,9-13,15-16H2,1-4H3
• InChIKey: QOULWKZCNIJYEP-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 102.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The IUPAC name of 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 149074943) is 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

What is the SMILES notation for 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The canonical SMILES for 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CCc1onc(C)c1-c1nc(-c2cccc(OCC(O)CNC)c2)nc(CC2CCOCC2)c1C.

What is the InChIKey of 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

The InChIKey is QOULWKZCNIJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-5-24-25(18(3)31-35-24)26-17(2)23(13-19-9-11-33-12-10-19)29-27(30-26)20-7-6-8-22(14-20)34-16-21(32)15-28-4/h6-8,14,19,21,28,32H,5,9-13,15-16H2,1-4H3.

What are the key properties of 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?

1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 480.61 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylmethyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 149074943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).