2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone

C17H10F3N3O2S — CID 21380871

IUPAC2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone
SMILESO=C(c1cn(Cc2nc(-c3cccs3)no2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)15(24)11-8-23(12-5-2-1-4-10(11)12)9-14-21-16(22-25-14)13-6-3-7-26-13/h1-8H,9H2
InChIKeyAIUFLQRNIINOTH-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.55
Rot. Bonds4

About 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone

2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone (PubChem CID 21380871) has the molecular formula C17H10F3N3O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone
PubChem CID21380871
Molecular FormulaC17H10F3N3O2S
Molecular Weight377.35 g/mol
Exact Mass377.04
IUPAC Name2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone
SMILESO=C(c1cn(Cc2nc(-c3cccs3)no2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H10F3N3O2S/c18-17(19,20)15(24)11-8-23(12-5-2-1-4-10(11)12)9-14-21-16(22-25-14)13-6-3-7-26-13/h1-8H,9H2
InChIKeyAIUFLQRNIINOTH-UHFFFAOYSA-N
XLogP4.55
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-(3-(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10200677
2-[3-(2-thienylcarbonyl)indolyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1088997
[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone
CID 147322486
2-(1H-indol-1-yl)-N-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl)acetamide
CID 76147133
N-(thiophen-2-ylmethyl)-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 1781198
2-[5-[5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]acetic acid
CID 24986745
1-[(5-Thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine
CID 89282208
5-Thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole
CID 91315845
1-[1-[[4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]indol-3-yl]ethanone
CID 139532622
2-Methyl-2-[[5-[5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]methyl]cyclopropan-1-one
CID 143697881
(5-fluoro-1H-indol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 147530182
(7-fluoro-1H-indol-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 147738668

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone (CID 21380871) is 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone is O=C(c1cn(Cc2nc(-c3cccs3)no2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone?
The InChIKey is AIUFLQRNIINOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2S/c18-17(19,20)15(24)11-8-23(12-5-2-1-4-10(11)12)9-14-21-16(22-25-14)13-6-3-7-26-13/h1-8H,9H2.
What are the key properties of 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone?
2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone has a molecular weight of 377.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 21380871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).