5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole

C16H10F3N3OS — CID 91315845

IUPAC5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc2c1ccn2Cc1noc(-c2cccs2)n1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)11-3-1-4-12-10(11)6-7-22(12)9-14-20-15(23-21-14)13-5-2-8-24-13/h1-8H,9H2
InChIKeyKVEYVOFQUXASMT-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.82
Rot. Bonds3

About 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole

5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 91315845) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID91315845
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc2c1ccn2Cc1noc(-c2cccs2)n1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)11-3-1-4-12-10(11)6-7-22(12)9-14-20-15(23-21-14)13-5-2-8-24-13/h1-8H,9H2
InChIKeyKVEYVOFQUXASMT-UHFFFAOYSA-N
XLogP4.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2,2,2-trifluoro-1-(1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indol-3-yl)ethanone
CID 21380871
3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole
CID 53172761
5-(1H-indol-4-yl)-3-(4-thiophen-3-ylphenyl)-1,2,4-oxadiazole
CID 164614799
3-(3-Pyrrol-1-ylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 2797603
3-{1-[2-(1-pyrrolidinyl)ethyl]-1H-1,3-benzimidazol-5-yl}-5-(2-thienyl)-1,2,4-oxadiazole
CID 53041034
1-methyl-6-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazole
CID 53172678
1-Methyl-6-[5-(3-methylthiophen-2-YL)-1,2,4-oxadiazol-3-YL]-1H-1,3-benzodiazole
CID 53172688
1-(Propan-2-YL)-6-[5-(thiophen-2-YL)-1,2,4-oxadiazol-3-YL]-1H-1,3-benzodiazole
CID 53172703
3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(2-thienyl)-1,2,4-oxadiazole
CID 53172758
1-[2-(Piperidin-1-YL)ethyl]-5-[5-(thiophen-2-YL)-1,2,4-oxadiazol-3-YL]-1H-1,3-benzodiazole
CID 53180005
1-[2-(Piperidin-1-YL)ethyl]-5-[5-(thiophen-3-YL)-1,2,4-oxadiazol-3-YL]-1H-1,3-benzodiazole
CID 53180014

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole (CID 91315845) is 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc2c1ccn2Cc1noc(-c2cccs2)n1.
What is the InChIKey of 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KVEYVOFQUXASMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c17-16(18,19)11-3-1-4-12-10(11)6-7-22(12)9-14-20-15(23-21-14)13-5-2-8-24-13/h1-8H,9H2.
What are the key properties of 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole?
5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 349.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[[4-(trifluoromethyl)indol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91315845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).