2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

C28H31F3N4O3 — CID 155226007

IUPAC2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2[nH]c3ccc(-c4nnc(C5CCN(C(C)C)CC5)o4)cc3c2CC(F)(F)F)cc1OC
InChIInChI=1S/C28H31F3N4O3/c1-16(2)35-11-9-17(10-12-35)26-33-34-27(38-26)19-5-7-22-20(13-19)21(15-28(29,30)31)25(32-22)18-6-8-23(36-3)24(14-18)37-4/h5-8,13-14,16-17,32H,9-12,15H2,1-4H3
InChIKeyIWUYAMGCFIPSAN-UHFFFAOYSA-N
MW528.58 g/mol
LogP6.59
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 155226007) has the molecular formula C28H31F3N4O3 and a molecular weight of 528.58 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
PubChem CID155226007
Molecular FormulaC28H31F3N4O3
Molecular Weight528.58 g/mol
Exact Mass528.23
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2[nH]c3ccc(-c4nnc(C5CCN(C(C)C)CC5)o4)cc3c2CC(F)(F)F)cc1OC
InChIInChI=1S/C28H31F3N4O3/c1-16(2)35-11-9-17(10-12-35)26-33-34-27(38-26)19-5-7-22-20(13-19)21(15-28(29,30)31)25(32-22)18-6-8-23(36-3)24(14-18)37-4/h5-8,13-14,16-17,32H,9-12,15H2,1-4H3
InChIKeyIWUYAMGCFIPSAN-UHFFFAOYSA-N
XLogP6.59
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.58
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole 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 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (CID 155226007) is 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is COc1ccc(-c2[nH]c3ccc(-c4nnc(C5CCN(C(C)C)CC5)o4)cc3c2CC(F)(F)F)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is IWUYAMGCFIPSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O3/c1-16(2)35-11-9-17(10-12-35)26-33-34-27(38-26)19-5-7-22-20(13-19)21(15-28(29,30)31)25(32-22)18-6-8-23(36-3)24(14-18)37-4/h5-8,13-14,16-17,32H,9-12,15H2,1-4H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 528.58 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 155226007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).