methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate

C26H33N5O5 — CID 158081465

About methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate

methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate (PubChem CID 158081465) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate
• PubChem CID: 158081465
• Molecular Formula: C26H33N5O5
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.25
• IUPAC Name: methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate
• SMILES: CNCC(O)COc1cccc(-c2nc(CC3CN(C(=O)OC)C3)c(C)c(-c3c(C)noc3C)n2)c1
• InChI: InChI=1S/C26H33N5O5/c1-15-22(9-18-12-31(13-18)26(33)34-5)28-25(29-24(15)23-16(2)30-36-17(23)3)19-7-6-8-21(10-19)35-14-20(32)11-27-4/h6-8,10,18,20,27,32H,9,11-14H2,1-5H3
• InChIKey: ULYQEGKFZYYEQQ-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 122.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate?

The IUPAC name of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate (CID 158081465) is methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate.

What is the SMILES notation for methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate?

The canonical SMILES for methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate is CNCC(O)COc1cccc(-c2nc(CC3CN(C(=O)OC)C3)c(C)c(-c3c(C)noc3C)n2)c1.

What is the InChIKey of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate?

The InChIKey is ULYQEGKFZYYEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-15-22(9-18-12-31(13-18)26(33)34-5)28-25(29-24(15)23-16(2)30-36-17(23)3)19-7-6-8-21(10-19)35-14-20(32)11-27-4/h6-8,10,18,20,27,32H,9,11-14H2,1-5H3.

What are the key properties of methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate?

methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-5-methylpyrimidin-4-yl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 158081465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).