[2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol

C23H26N4O7S — CID 53467194

About [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol

[2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (PubChem CID 53467194) has the molecular formula C23H26N4O7S and a molecular weight of 502.55 g/mol. Its IUPAC name is [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol.

Molecular Properties

• Compound Name: [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
• PubChem CID: 53467194
• Molecular Formula: C23H26N4O7S
• Molecular Weight: 502.55 g/mol
• Exact Mass: 502.15
• IUPAC Name: [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
• SMILES: COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)nc(-c2ccc(C3=NCC(CO)O3)[nH]2)c1
• InChI: InChI=1S/C23H26N4O7S/c1-14(13-31-2)32-16-8-20(18-5-6-19(26-18)23-25-11-17(12-28)34-23)27-21(9-16)33-15-4-7-22(24-10-15)35(3,29)30/h4-10,14,17,26,28H,11-13H2,1-3H3/t14-,17?/m0/s1
• InChIKey: KPBBFUMNNAOOOA-MBIQTGHCSA-N
• XLogP: 2.22
• TPSA: 145.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.55
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

The IUPAC name of [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (CID 53467194) is [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol.

What is the SMILES notation for [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

The canonical SMILES for [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)nc(-c2ccc(C3=NCC(CO)O3)[nH]2)c1.

What is the InChIKey of [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

The InChIKey is KPBBFUMNNAOOOA-MBIQTGHCSA-N. The full InChI is InChI=1S/C23H26N4O7S/c1-14(13-31-2)32-16-8-20(18-5-6-19(26-18)23-25-11-17(12-28)34-23)27-21(9-16)33-15-4-7-22(24-10-15)35(3,29)30/h4-10,14,17,26,28H,11-13H2,1-3H3/t14-,17?/m0/s1.

What are the key properties of [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?

[2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol has a molecular weight of 502.55 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]-1H-pyrrol-2-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 53467194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).