1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol

C48H44F12N4O4 — CID 21082192

About 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 21082192) has the molecular formula C48H44F12N4O4 and a molecular weight of 968.88 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol
• PubChem CID: 21082192
• Molecular Formula: C48H44F12N4O4
• Molecular Weight: 968.88 g/mol
• Exact Mass: 968.32
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol
• SMILES: Cc1nc(CCN2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CC2C)c(-c2ccccc2)o1.Cc1oc(-c2ccccc2)nc1CCN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
• InChI: InChI=1S/2C24H22F6N2O2/c1-14-12-17-13-18(22(33,23(25,26)27)24(28,29)30)8-9-20(17)32(14)11-10-19-21(34-15(2)31-19)16-6-4-3-5-7-16;1-14-12-17-13-18(22(33,23(25,26)27)24(28,29)30)8-9-20(17)32(14)11-10-19-15(2)34-21(31-19)16-6-4-3-5-7-16/h2*3-9,13-14,33H,10-12H2,1-2H3
• InChIKey: GHIOUWQHNJRNCH-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 99.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.88
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol (CID 21082192) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol is Cc1nc(CCN2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CC2C)c(-c2ccccc2)o1.Cc1oc(-c2ccccc2)nc1CCN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol?

The InChIKey is GHIOUWQHNJRNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22F6N2O2/c1-14-12-17-13-18(22(33,23(25,26)27)24(28,29)30)8-9-20(17)32(14)11-10-19-21(34-15(2)31-19)16-6-4-3-5-7-16;1-14-12-17-13-18(22(33,23(25,26)27)24(28,29)30)8-9-20(17)32(14)11-10-19-15(2)34-21(31-19)16-6-4-3-5-7-16/h2*3-9,13-14,33H,10-12H2,1-2H3.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol?

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 968.88 g/mol, XLogP of 11.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(2-methyl-5-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 21082192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).