methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate

C25H27N3O6 — CID 66682510

IUPACmethyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate
SMILESCOC[C@H](C)Oc1cc(Oc2ccc(C(=O)OC)nc2)cc(-c2ccc(C3=NC[C@H](C)O3)[nH]2)c1
InChIInChI=1S/C25H27N3O6/c1-15-12-27-24(33-15)22-8-7-21(28-22)17-9-19(32-16(2)14-30-3)11-20(10-17)34-18-5-6-23(26-13-18)25(29)31-4/h5-11,13,15-16,28H,12,14H2,1-4H3/t15-,16-/m0/s1
InChIKeyLBXGOFFLPMAKMM-HOTGVXAUSA-N
MW465.51 g/mol
LogP4.23
Rot. Bonds9

About methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate

methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate (PubChem CID 66682510) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate
PubChem CID66682510
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Namemethyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate
SMILESCOC[C@H](C)Oc1cc(Oc2ccc(C(=O)OC)nc2)cc(-c2ccc(C3=NC[C@H](C)O3)[nH]2)c1
InChIInChI=1S/C25H27N3O6/c1-15-12-27-24(33-15)22-8-7-21(28-22)17-9-19(32-16(2)14-30-3)11-20(10-17)34-18-5-6-23(26-13-18)25(29)31-4/h5-11,13,15-16,28H,12,14H2,1-4H3/t15-,16-/m0/s1
InChIKeyLBXGOFFLPMAKMM-HOTGVXAUSA-N
XLogP4.23
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate (CID 66682510) is methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate is COC[C@H](C)Oc1cc(Oc2ccc(C(=O)OC)nc2)cc(-c2ccc(C3=NC[C@H](C)O3)[nH]2)c1.
What is the InChIKey of methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate?
The InChIKey is LBXGOFFLPMAKMM-HOTGVXAUSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-15-12-27-24(33-15)22-8-7-21(28-22)17-9-19(32-16(2)14-30-3)11-20(10-17)34-18-5-6-23(26-13-18)25(29)31-4/h5-11,13,15-16,28H,12,14H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate?
methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[5-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyrrol-2-yl]phenoxy]pyridine-2-carboxylate is sourced from PubChem (CID 66682510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).