6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole

C21H19F3N2O2 — CID 11440625

IUPAC6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
SMILESCCCc1c(OCCc2c[nH]c3ccccc23)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C21H19F3N2O2/c1-2-5-15-18(9-8-16-19(15)28-26-20(16)21(22,23)24)27-11-10-13-12-25-17-7-4-3-6-14(13)17/h3-4,6-9,12,25H,2,5,10-11H2,1H3
InChIKeyYCQCPRYMKWIPPW-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.90
Rot. Bonds6

About 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole

6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole (PubChem CID 11440625) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
PubChem CID11440625
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
SMILESCCCc1c(OCCc2c[nH]c3ccccc23)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C21H19F3N2O2/c1-2-5-15-18(9-8-16-19(15)28-26-20(16)21(22,23)24)27-11-10-13-12-25-17-7-4-3-6-14(13)17/h3-4,6-9,12,25H,2,5,10-11H2,1H3
InChIKeyYCQCPRYMKWIPPW-UHFFFAOYSA-N
XLogP5.90
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
The IUPAC name of 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole (CID 11440625) is 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole.
What is the SMILES notation for 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
The canonical SMILES for 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole is CCCc1c(OCCc2c[nH]c3ccccc23)ccc2c(C(F)(F)F)noc12.
What is the InChIKey of 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
The InChIKey is YCQCPRYMKWIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-2-5-15-18(9-8-16-19(15)28-26-20(16)21(22,23)24)27-11-10-13-12-25-17-7-4-3-6-14(13)17/h3-4,6-9,12,25H,2,5,10-11H2,1H3.
What are the key properties of 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole?
6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole has a molecular weight of 388.39 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-indol-3-yl)ethoxy]-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 11440625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).