[2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate

C26H30FN5O6 — CID 89184356

About [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate

[2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate (PubChem CID 89184356) has the molecular formula C26H30FN5O6 and a molecular weight of 527.55 g/mol. Its IUPAC name is [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

• Compound Name: [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate
• PubChem CID: 89184356
• Molecular Formula: C26H30FN5O6
• Molecular Weight: 527.55 g/mol
• Exact Mass: 527.22
• IUPAC Name: [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate
• SMILES: COc1cc(CNC(=O)c2cc(C3=NO[C@@H](C4CCN(C(=O)COC(C)=O)CC4)C3)nc(C)n2)ccc1F
• InChI: InChI=1S/C26H30FN5O6/c1-15-29-20(11-22(30-15)26(35)28-13-17-4-5-19(27)24(10-17)36-3)21-12-23(38-31-21)18-6-8-32(9-7-18)25(34)14-37-16(2)33/h4-5,10-11,18,23H,6-9,12-14H2,1-3H3,(H,28,35)/t23-/m1/s1
• InChIKey: YVKYLUADHMVAAL-HSZRJFAPSA-N
• XLogP: 2.16
• TPSA: 132.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.55
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate?

The IUPAC name of [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate (CID 89184356) is [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate.

What is the SMILES notation for [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate?

The canonical SMILES for [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate is COc1cc(CNC(=O)c2cc(C3=NO[C@@H](C4CCN(C(=O)COC(C)=O)CC4)C3)nc(C)n2)ccc1F.

What is the InChIKey of [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate?

The InChIKey is YVKYLUADHMVAAL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30FN5O6/c1-15-29-20(11-22(30-15)26(35)28-13-17-4-5-19(27)24(10-17)36-3)21-12-23(38-31-21)18-6-8-32(9-7-18)25(34)14-37-16(2)33/h4-5,10-11,18,23H,6-9,12-14H2,1-3H3,(H,28,35)/t23-/m1/s1.

What are the key properties of [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate?

[2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate has a molecular weight of 527.55 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(5R)-3-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]piperidin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 89184356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).