5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole

C27H30FN5O3 — CID 175576503

About 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole

5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole (PubChem CID 175576503) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole
• PubChem CID: 175576503
• Molecular Formula: C27H30FN5O3
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.23
• IUPAC Name: 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole
• SMILES: Cc1nc2cc(F)c(COc3cccc(C4CCN(Cc5nccn5C[C@@H]5CCO5)CC4)n3)cc2o1
• InChI: InChI=1S/C27H30FN5O3/c1-18-30-24-14-22(28)20(13-25(24)36-18)17-35-27-4-2-3-23(31-27)19-5-9-32(10-6-19)16-26-29-8-11-33(26)15-21-7-12-34-21/h2-4,8,11,13-14,19,21H,5-7,9-10,12,15-17H2,1H3/t21-/m0/s1
• InChIKey: QUCLEZZHXXTCFC-NRFANRHFSA-N
• XLogP: 4.61
• TPSA: 78.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole?

The IUPAC name of 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole (CID 175576503) is 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole.

What is the SMILES notation for 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole?

The canonical SMILES for 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole is Cc1nc2cc(F)c(COc3cccc(C4CCN(Cc5nccn5C[C@@H]5CCO5)CC4)n3)cc2o1.

What is the InChIKey of 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole?

The InChIKey is QUCLEZZHXXTCFC-NRFANRHFSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-18-30-24-14-22(28)20(13-25(24)36-18)17-35-27-4-2-3-23(31-27)19-5-9-32(10-6-19)16-26-29-8-11-33(26)15-21-7-12-34-21/h2-4,8,11,13-14,19,21H,5-7,9-10,12,15-17H2,1H3/t21-/m0/s1.

What are the key properties of 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole?

5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole has a molecular weight of 491.57 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-methyl-6-[[6-[1-[[1-[[(2S)-oxetan-2-yl]methyl]imidazol-2-yl]methyl]piperidin-4-yl]-2-pyridinyl]oxymethyl]-1,3-benzoxazole is sourced from PubChem (CID 175576503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).