2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide

C29H27ClN6O3S — CID 166378941

IUPAC2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)c1ccccc1Cl
InChIInChI=1S/C29H27ClN6O3S/c30-22-8-3-1-7-21(22)28(37)32-24(16-19-17-31-23-9-4-2-6-20(19)23)29(38)36-13-11-35(12-14-36)18-26-33-27(34-39-26)25-10-5-15-40-25/h1-10,15,17,24,31H,11-14,16,18H2,(H,32,37)
InChIKeyPKVYGJFBNYOSGJ-UHFFFAOYSA-N
MW575.09 g/mol
LogP4.62
Rot. Bonds8

About 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide

2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide (PubChem CID 166378941) has the molecular formula C29H27ClN6O3S and a molecular weight of 575.09 g/mol. Its IUPAC name is 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide
PubChem CID166378941
Molecular FormulaC29H27ClN6O3S
Molecular Weight575.09 g/mol
Exact Mass574.16
IUPAC Name2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)c1ccccc1Cl
InChIInChI=1S/C29H27ClN6O3S/c30-22-8-3-1-7-21(22)28(37)32-24(16-19-17-31-23-9-4-2-6-20(19)23)29(38)36-13-11-35(12-14-36)18-26-33-27(34-39-26)25-10-5-15-40-25/h1-10,15,17,24,31H,11-14,16,18H2,(H,32,37)
InChIKeyPKVYGJFBNYOSGJ-UHFFFAOYSA-N
XLogP4.62
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.09
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 16582857
1H-indazol-3-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24610035
N-[2-oxo-1-phenyl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 51113226
1-[2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 55520175
(2R)-2-amino-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839831
2-(4-chlorophenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 24609995
2-naphthalen-1-yl-N-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 16606338
2-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 46533225
(2-aminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119946361
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 24590879
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylbenzamide
CID 110286442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide (CID 166378941) is 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide?
The InChIKey is PKVYGJFBNYOSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN6O3S/c30-22-8-3-1-7-21(22)28(37)32-24(16-19-17-31-23-9-4-2-6-20(19)23)29(38)36-13-11-35(12-14-36)18-26-33-27(34-39-26)25-10-5-15-40-25/h1-10,15,17,24,31H,11-14,16,18H2,(H,32,37).
What are the key properties of 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide?
2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide has a molecular weight of 575.09 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 166378941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).