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

C24H22F6N2O2 — CID 21082193

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCc1oc(-c2ccccc2)nc1CCN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
InChIInChI=1S/C24H22F6N2O2/c1-14-12-17-13-18(22(33,23(25,26)27)24(28,29)30)8-9-20(17)32(14)11-10-19-15(2)34-21(31-19)16-6-4-3-5-7-16/h3-9,13-14,33H,10-12H2,1-2H3
InChIKeyVDEXFWQPLZUNCB-UHFFFAOYSA-N
MW484.44 g/mol
LogP5.96
Rot. Bonds5

About 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-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 21082193) has the molecular formula C24H22F6N2O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 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 Name1,1,1,3,3,3-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 CID21082193
Molecular FormulaC24H22F6N2O2
Molecular Weight484.44 g/mol
Exact Mass484.16
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCc1oc(-c2ccccc2)nc1CCN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
InChIInChI=1S/C24H22F6N2O2/c1-14-12-17-13-18(22(33,23(25,26)27)24(28,29)30)8-9-20(17)32(14)11-10-19-15(2)34-21(31-19)16-6-4-3-5-7-16/h3-9,13-14,33H,10-12H2,1-2H3
InChIKeyVDEXFWQPLZUNCB-UHFFFAOYSA-N
XLogP5.96
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol (CID 21082193) is 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-(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-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol is 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-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is VDEXFWQPLZUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N2O2/c1-14-12-17-13-18(22(33,23(25,26)27)24(28,29)30)8-9-20(17)32(14)11-10-19-15(2)34-21(31-19)16-6-4-3-5-7-16/h3-9,13-14,33H,10-12H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[2-(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-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 484.44 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 21082193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).