3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one

C139H139N17O19 — CID 158028917

About 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one

3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one (PubChem CID 158028917) has the molecular formula C139H139N17O19 and a molecular weight of 2351.74 g/mol. Its IUPAC name is 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one.

Molecular Properties

• Compound Name: 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one
• PubChem CID: 158028917
• Molecular Formula: C139H139N17O19
• Molecular Weight: 2351.74 g/mol
• Exact Mass: 2350.04
• IUPAC Name: 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one
• SMILES: C=C(O)CCCn1ncc2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.C=C(O)Cn1ncc2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)C(C)(C)Oc1cccc2c1cnn2CCCc1nc(-c2ccccc2)oc1C.CC(=O)C(C)(C)Oc1cccc2c1cnn2CCc1nc(-c2ccccc2)oc1C.CC(=O)COc1ccnc2c1ccn2CCc1nc(-c2ccccc2)oc1C.Cc1oc(-c2ccccc2)nc1CCOc1ccc2ccn(CC(=O)O)c2c1
• InChI: InChI=1S/C25H27N3O3.2C24H25N3O3.2C22H21N3O3.C22H20N2O4/c1-17-21(27-24(30-17)19-10-6-5-7-11-19)12-9-15-28-22-13-8-14-23(20(22)16-26-28)31-25(3,4)18(2)29;1-16-20(26-23(29-16)18-9-6-5-7-10-18)13-14-27-21-11-8-12-22(19(21)15-25-27)30-24(3,4)17(2)28;1-17(28)8-7-14-27-22-11-6-12-23(20(22)16-25-27)29-15-13-21-18(2)30-24(26-21)19-9-4-3-5-10-19;1-15(26)14-25-20-9-6-10-21(18(20)13-23-25)27-12-11-19-16(2)28-22(24-19)17-7-4-3-5-8-17;1-15(26)14-27-20-8-11-23-21-18(20)9-12-25(21)13-10-19-16(2)28-22(24-19)17-6-4-3-5-7-17;1-15-19(23-22(28-15)17-5-3-2-4-6-17)10-12-27-18-8-7-16-9-11-24(14-21(25)26)20(16)13-18/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3;5-12,15H,13-14H2,1-4H3;3-6,9-12,16,28H,1,7-8,13-15H2,2H3;3-10,13,26H,1,11-12,14H2,2H3;3-9,11-12H,10,13-14H2,1-2H3;2-9,11,13H,10,12,14H2,1H3,(H,25,26)
• InChIKey: FGYGPVRDTIVHOH-UHFFFAOYSA-N
• XLogP: 29.05
• TPSA: 434.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2351.74
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one?

The IUPAC name of 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one (CID 158028917) is 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one.

What is the SMILES notation for 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one?

The canonical SMILES for 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one is C=C(O)CCCn1ncc2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.C=C(O)Cn1ncc2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)C(C)(C)Oc1cccc2c1cnn2CCCc1nc(-c2ccccc2)oc1C.CC(=O)C(C)(C)Oc1cccc2c1cnn2CCc1nc(-c2ccccc2)oc1C.CC(=O)COc1ccnc2c1ccn2CCc1nc(-c2ccccc2)oc1C.Cc1oc(-c2ccccc2)nc1CCOc1ccc2ccn(CC(=O)O)c2c1.

What is the InChIKey of 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one?

The InChIKey is FGYGPVRDTIVHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.2C24H25N3O3.2C22H21N3O3.C22H20N2O4/c1-17-21(27-24(30-17)19-10-6-5-7-11-19)12-9-15-28-22-13-8-14-23(20(22)16-26-28)31-25(3,4)18(2)29;1-16-20(26-23(29-16)18-9-6-5-7-10-18)13-14-27-21-11-8-12-22(19(21)15-25-27)30-24(3,4)17(2)28;1-17(28)8-7-14-27-22-11-6-12-23(20(22)16-25-27)29-15-13-21-18(2)30-24(26-21)19-9-4-3-5-10-19;1-15(26)14-25-20-9-6-10-21(18(20)13-23-25)27-12-11-19-16(2)28-22(24-19)17-7-4-3-5-8-17;1-15(26)14-27-20-8-11-23-21-18(20)9-12-25(21)13-10-19-16(2)28-22(24-19)17-6-4-3-5-7-17;1-15-19(23-22(28-15)17-5-3-2-4-6-17)10-12-27-18-8-7-16-9-11-24(14-21(25)26)20(16)13-18/h5-8,10-11,13-14,16H,9,12,15H2,1-4H3;5-12,15H,13-14H2,1-4H3;3-6,9-12,16,28H,1,7-8,13-15H2,2H3;3-10,13,26H,1,11-12,14H2,2H3;3-9,11-12H,10,13-14H2,1-2H3;2-9,11,13H,10,12,14H2,1H3,(H,25,26).

What are the key properties of 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one?

3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one has a molecular weight of 2351.74 g/mol, XLogP of 29.05, 45 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]indazol-4-yl]oxybutan-2-one;3-methyl-3-[1-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]indazol-4-yl]oxybutan-2-one;5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]pent-1-en-2-ol;3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]prop-1-en-2-ol;2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]acetic acid;1-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]oxypropan-2-one is sourced from PubChem (CID 158028917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).