(5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C23H21ClN4O2 — CID 46389300

IUPAC(5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nc(C3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)no2)c1
InChIInChI=1S/C23H21ClN4O2/c1-14-3-2-4-16(11-14)22-26-21(27-30-22)15-7-9-28(10-8-15)23(29)20-13-17-12-18(24)5-6-19(17)25-20/h2-6,11-13,15,25H,7-10H2,1H3
InChIKeyUSFCWRAKFBASPI-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.20
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 46389300) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID46389300
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2nc(C3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)no2)c1
InChIInChI=1S/C23H21ClN4O2/c1-14-3-2-4-16(11-14)22-26-21(27-30-22)15-7-9-28(10-8-15)23(29)20-13-17-12-18(24)5-6-19(17)25-20/h2-6,11-13,15,25H,7-10H2,1H3
InChIKeyUSFCWRAKFBASPI-UHFFFAOYSA-N
XLogP5.20
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone 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

1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801029
N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
CID 44534073
7-chloro-N-[4-[2-[7-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide;hydrochloride
CID 44534270
2-(2-(3-(3-cyclohexylpropyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
CID 136043759
2-(2-(3-(cyclohexylmethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
CID 136043767
2-(2-(3-(2-cyclohexylethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
CID 136043771
2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N-ethyl-N-methylethanamine
CID 136043779
2-(2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)ethoxy)-N,N-dimethylethanamine
CID 136043780
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(2-(pyrrolidin-1-yl)ethyl)-1H-indole
CID 136043781
(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylmethanamine
CID 136043782
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(4-methylpiperazin-1-yl)-1H-indole
CID 136043786
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(1-methylpiperidin-4-yl)-1H-indole
CID 136043788

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 46389300) is (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is Cc1cccc(-c2nc(C3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)no2)c1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is USFCWRAKFBASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-3-2-4-16(11-14)22-26-21(27-30-22)15-7-9-28(10-8-15)23(29)20-13-17-12-18(24)5-6-19(17)25-20/h2-6,11-13,15,25H,7-10H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 420.90 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46389300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).