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

C16H11F3N4OS — CID 89282208

IUPAC1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine
SMILESNc1ccc2c(ccn2Cc2noc(-c3cccs3)n2)c1C(F)(F)F
InChIInChI=1S/C16H11F3N4OS/c17-16(18,19)14-9-5-6-23(11(9)4-3-10(14)20)8-13-21-15(24-22-13)12-2-1-7-25-12/h1-7H,8,20H2
InChIKeyCWBLJWZBYVVSEQ-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.40
Rot. Bonds3

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

1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine (PubChem CID 89282208) has the molecular formula C16H11F3N4OS and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine
PubChem CID89282208
Molecular FormulaC16H11F3N4OS
Molecular Weight364.35 g/mol
Exact Mass364.06
IUPAC Name1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine
SMILESNc1ccc2c(ccn2Cc2noc(-c3cccs3)n2)c1C(F)(F)F
InChIInChI=1S/C16H11F3N4OS/c17-16(18,19)14-9-5-6-23(11(9)4-3-10(14)20)8-13-21-15(24-22-13)12-2-1-7-25-12/h1-7H,8,20H2
InChIKeyCWBLJWZBYVVSEQ-UHFFFAOYSA-N
XLogP4.40
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-(1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indol-3-yl)ethanone
CID 21380871
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
1-[2-(Piperidin-1-YL)ethyl]-5-[5-(thiophen-2-YL)-1,2,4-oxadiazol-3-YL]-1H-1,3-benzodiazole
CID 53180005
2-(1H-indol-1-yl)-N-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl)acetamide
CID 76147133
1-{[5-(2-Thienyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(trifluoromethyl)-1H-indole-5-carbonitrile
CID 24984455
3-[4-[5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid
CID 24986741
4-[4-[5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid
CID 24987831

Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine?
The IUPAC name of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine (CID 89282208) is 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine is Nc1ccc2c(ccn2Cc2noc(-c3cccs3)n2)c1C(F)(F)F.
What is the InChIKey of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine?
The InChIKey is CWBLJWZBYVVSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS/c17-16(18,19)14-9-5-6-23(11(9)4-3-10(14)20)8-13-21-15(24-22-13)12-2-1-7-25-12/h1-7H,8,20H2.
What are the key properties of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine?
1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine has a molecular weight of 364.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indol-5-amine is sourced from PubChem (CID 89282208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).