(2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol

C24H27N3O6S — CID 58065446

About (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol

(2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol (PubChem CID 58065446) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol
• PubChem CID: 58065446
• Molecular Formula: C24H27N3O6S
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.16
• IUPAC Name: (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol
• SMILES: CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(-c3ccc(C4=NC[C@H](C)O4)[nH]3)c2)cn1
• InChI: InChI=1S/C24H27N3O6S/c1-4-34(29,30)23-8-5-18(13-25-23)33-20-10-17(9-19(11-20)31-16(3)14-28)21-6-7-22(27-21)24-26-12-15(2)32-24/h5-11,13,15-16,27-28H,4,12,14H2,1-3H3/t15-,16-/m0/s1
• InChIKey: BHPVWNIJRSNMOO-HOTGVXAUSA-N
• XLogP: 3.59
• TPSA: 123.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol?

The IUPAC name of (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol (CID 58065446) is (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol.

What is the SMILES notation for (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol?

The canonical SMILES for (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol is CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(-c3ccc(C4=NC[C@H](C)O4)[nH]3)c2)cn1.

What is the InChIKey of (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol?

The InChIKey is BHPVWNIJRSNMOO-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-4-34(29,30)23-8-5-18(13-25-23)33-20-10-17(9-19(11-20)31-16(3)14-28)21-6-7-22(27-21)24-26-12-15(2)32-24/h5-11,13,15-16,27-28H,4,12,14H2,1-3H3/t15-,16-/m0/s1.

What are the key properties of (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol?

(2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol has a molecular weight of 485.56 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 58065446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).