1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol

C30H24F6N2O3 — CID 11585010

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol
SMILESCc1oc(-c2cccc(OCc3ccccc3)c2)nc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C30H24F6N2O3/c1-18-13-22-14-23(28(39,29(31,32)33)30(34,35)36)11-12-26(22)38(18)16-25-19(2)41-27(37-25)21-9-6-10-24(15-21)40-17-20-7-4-3-5-8-20/h3-15,39H,16-17H2,1-2H3
InChIKeyATQYBNIGMWAGEY-UHFFFAOYSA-N
MW574.52 g/mol
LogP7.85
Rot. Bonds7

About 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol (PubChem CID 11585010) has the molecular formula C30H24F6N2O3 and a molecular weight of 574.52 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol
PubChem CID11585010
Molecular FormulaC30H24F6N2O3
Molecular Weight574.52 g/mol
Exact Mass574.17
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol
SMILESCc1oc(-c2cccc(OCc3ccccc3)c2)nc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C30H24F6N2O3/c1-18-13-22-14-23(28(39,29(31,32)33)30(34,35)36)11-12-26(22)38(18)16-25-19(2)41-27(37-25)21-9-6-10-24(15-21)40-17-20-7-4-3-5-8-20/h3-15,39H,16-17H2,1-2H3
InChIKeyATQYBNIGMWAGEY-UHFFFAOYSA-N
XLogP7.85
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.52
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol (CID 11585010) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol is Cc1oc(-c2cccc(OCc3ccccc3)c2)nc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol?
The InChIKey is ATQYBNIGMWAGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F6N2O3/c1-18-13-22-14-23(28(39,29(31,32)33)30(34,35)36)11-12-26(22)38(18)16-25-19(2)41-27(37-25)21-9-6-10-24(15-21)40-17-20-7-4-3-5-8-20/h3-15,39H,16-17H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol has a molecular weight of 574.52 g/mol, XLogP of 7.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[[5-methyl-2-(3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]indol-5-yl]propan-2-ol is sourced from PubChem (CID 11585010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).