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

C17H9F3N4OS — CID 24984455

IUPAC1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2noc(-c3cccs3)n2)c1C(F)(F)F
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)15-10(8-21)3-4-12-11(15)5-6-24(12)9-14-22-16(25-23-14)13-2-1-7-26-13/h1-7H,9H2
InChIKeyAAYXGLJBSZBJDO-UHFFFAOYSA-N
MW374.35 g/mol
LogP4.69
Rot. Bonds3

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

1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile (PubChem CID 24984455) has the molecular formula C17H9F3N4OS and a molecular weight of 374.35 g/mol. Its IUPAC name is 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile
PubChem CID24984455
Molecular FormulaC17H9F3N4OS
Molecular Weight374.35 g/mol
Exact Mass374.04
IUPAC Name1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2noc(-c3cccs3)n2)c1C(F)(F)F
InChIInChI=1S/C17H9F3N4OS/c18-17(19,20)15-10(8-21)3-4-12-11(15)5-6-24(12)9-14-22-16(25-23-14)13-2-1-7-26-13/h1-7H,9H2
InChIKeyAAYXGLJBSZBJDO-UHFFFAOYSA-N
XLogP4.69
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The IUPAC name of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile (CID 24984455) is 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile.
What is the SMILES notation for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The canonical SMILES for 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile is N#Cc1ccc2c(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)indole-5-carbonitrile?
The InChIKey is AAYXGLJBSZBJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4OS/c18-17(19,20)15-10(8-21)3-4-12-11(15)5-6-24(12)9-14-22-16(25-23-14)13-2-1-7-26-13/h1-7H,9H2.
What are the key properties of 1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)indole-5-carbonitrile has a molecular weight of 374.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 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)indole-5-carbonitrile is sourced from PubChem (CID 24984455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).