1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol

C17H11F3N2O2 — CID 17390423

IUPAC1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
SMILESOC(c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)16(23,11-9-21-12-6-2-1-5-10(11)12)15-22-13-7-3-4-8-14(13)24-15/h1-9,21,23H
InChIKeyBKUMAGSGDZLWQD-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.11
Rot. Bonds2

About 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol

1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol (PubChem CID 17390423) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
PubChem CID17390423
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
SMILESOC(c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)16(23,11-9-21-12-6-2-1-5-10(11)12)15-22-13-7-3-4-8-14(13)24-15/h1-9,21,23H
InChIKeyBKUMAGSGDZLWQD-UHFFFAOYSA-N
XLogP4.11
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol (CID 17390423) is 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol is OC(c1nc2ccccc2o1)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The InChIKey is BKUMAGSGDZLWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)16(23,11-9-21-12-6-2-1-5-10(11)12)15-22-13-7-3-4-8-14(13)24-15/h1-9,21,23H.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol has a molecular weight of 332.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 17390423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).