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

C19H10ClF3N4O — CID 24984300

IUPAC1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2noc(-c3cccc(Cl)c3)n2)c1C(F)(F)F
InChIInChI=1S/C19H10ClF3N4O/c20-13-3-1-2-11(8-13)18-25-16(26-28-18)10-27-7-6-14-15(27)5-4-12(9-24)17(14)19(21,22)23/h1-8H,10H2
InChIKeyHEZKNMVRWLGRMZ-UHFFFAOYSA-N
MW402.76 g/mol
LogP5.28
Rot. Bonds3

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

1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile (PubChem CID 24984300) has the molecular formula C19H10ClF3N4O and a molecular weight of 402.76 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
PubChem CID24984300
Molecular FormulaC19H10ClF3N4O
Molecular Weight402.76 g/mol
Exact Mass402.05
IUPAC Name1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2Cc2noc(-c3cccc(Cl)c3)n2)c1C(F)(F)F
InChIInChI=1S/C19H10ClF3N4O/c20-13-3-1-2-11(8-13)18-25-16(26-28-18)10-27-7-6-14-15(27)5-4-12(9-24)17(14)19(21,22)23/h1-8H,10H2
InChIKeyHEZKNMVRWLGRMZ-UHFFFAOYSA-N
XLogP5.28
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.76
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The IUPAC name of 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile (CID 24984300) is 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The canonical SMILES for 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile is N#Cc1ccc2c(ccn2Cc2noc(-c3cccc(Cl)c3)n2)c1C(F)(F)F.
What is the InChIKey of 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
The InChIKey is HEZKNMVRWLGRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N4O/c20-13-3-1-2-11(8-13)18-25-16(26-28-18)10-27-7-6-14-15(27)5-4-12(9-24)17(14)19(21,22)23/h1-8H,10H2.
What are the key properties of 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile?
1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile has a molecular weight of 402.76 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile is sourced from PubChem (CID 24984300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).