4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one

C97H93ClN12O11 — CID 158859069

About 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one

4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one (PubChem CID 158859069) has the molecular formula C97H93ClN12O11 and a molecular weight of 1638.34 g/mol. Its IUPAC name is 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one.

Molecular Properties

• Compound Name: 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one
• PubChem CID: 158859069
• Molecular Formula: C97H93ClN12O11
• Molecular Weight: 1638.34 g/mol
• Exact Mass: 1636.68
• IUPAC Name: 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one
• SMILES: C=C(O)CCn1ncc2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)CCn1cc(Cl)c2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)CCn1ccc2c(NCCc3nc(-c4ccccc4)oc3C)ccnc21.CC(=O)CCn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21
• InChI: InChI=1S/C27H23N3O3.C24H23ClN2O3.C23H24N4O2.C23H23N3O3/c1-19(31)15-16-30-24-13-8-14-25(22(24)17-28-30)32-18-23-26(20-9-4-2-5-10-20)33-27(29-23)21-11-6-3-7-12-21;1-16(28)11-13-27-15-19(25)23-21(27)9-6-10-22(23)29-14-12-20-17(2)30-24(26-20)18-7-4-3-5-8-18;1-16(28)10-14-27-15-11-19-21(9-13-25-22(19)27)24-12-8-20-17(2)29-23(26-20)18-6-4-3-5-7-18;1-16(27)11-13-26-21-9-6-10-22(19(21)15-24-26)28-14-12-20-17(2)29-23(25-20)18-7-4-3-5-8-18/h2-14,17H,15-16,18H2,1H3;3-10,15H,11-14H2,1-2H3;3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,24,25);3-10,15,27H,1,11-14H2,2H3
• InChIKey: JAKSSQVHFIZXCQ-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 273.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 32
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1638.34
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one?

The IUPAC name of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one (CID 158859069) is 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one.

What is the SMILES notation for 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one?

The canonical SMILES for 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one is C=C(O)CCn1ncc2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)CCn1cc(Cl)c2c(OCCc3nc(-c4ccccc4)oc3C)cccc21.CC(=O)CCn1ccc2c(NCCc3nc(-c4ccccc4)oc3C)ccnc21.CC(=O)CCn1ncc2c(OCc3nc(-c4ccccc4)oc3-c3ccccc3)cccc21.

What is the InChIKey of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one?

The InChIKey is JAKSSQVHFIZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3.C24H23ClN2O3.C23H24N4O2.C23H23N3O3/c1-19(31)15-16-30-24-13-8-14-25(22(24)17-28-30)32-18-23-26(20-9-4-2-5-10-20)33-27(29-23)21-11-6-3-7-12-21;1-16(28)11-13-27-15-19(25)23-21(27)9-6-10-22(23)29-14-12-20-17(2)30-24(26-20)18-7-4-3-5-8-18;1-16(28)10-14-27-15-11-19-21(9-13-25-22(19)27)24-12-8-20-17(2)29-23(26-20)18-6-4-3-5-7-18;1-16(27)11-13-26-21-9-6-10-22(19(21)15-24-26)28-14-12-20-17(2)29-23(25-20)18-7-4-3-5-8-18/h2-14,17H,15-16,18H2,1H3;3-10,15H,11-14H2,1-2H3;3-7,9,11,13,15H,8,10,12,14H2,1-2H3,(H,24,25);3-10,15,27H,1,11-14H2,2H3.

What are the key properties of 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one?

4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one has a molecular weight of 1638.34 g/mol, XLogP of 21.49, 32 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]butan-2-one;4-[4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butan-2-one;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]but-1-en-2-ol;4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethylamino]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one is sourced from PubChem (CID 158859069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).