5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole

C23H24N4OS — CID 8653357

IUPAC5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CCCN3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1
InChIInChI=1S/C23H24N4OS/c1-2-8-17(9-3-1)22-25-21(28-26-22)13-7-15-27-14-6-10-18(16-27)23-24-19-11-4-5-12-20(19)29-23/h1-5,8-9,11-12,18H,6-7,10,13-16H2/t18-/m1/s1
InChIKeyQKOLXNNEKVASMH-GOSISDBHSA-N
MW404.54 g/mol
LogP5.16
Rot. Bonds6

About 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole

5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 8653357) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID8653357
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CCCN3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1
InChIInChI=1S/C23H24N4OS/c1-2-8-17(9-3-1)22-25-21(28-26-22)13-7-15-27-14-6-10-18(16-27)23-24-19-11-4-5-12-20(19)29-23/h1-5,8-9,11-12,18H,6-7,10,13-16H2/t18-/m1/s1
InChIKeyQKOLXNNEKVASMH-GOSISDBHSA-N
XLogP5.16
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
2-[(3R)-1-benzylpiperidin-3-yl]-1,3-benzothiazole
CID 9388635
N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 119919242
2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 9388649
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 24501910
2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 9348819
2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 9348821
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
3-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 17440714
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
CID 119907371
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 17413481

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole (CID 8653357) is 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(CCCN3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1.
What is the InChIKey of 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is QKOLXNNEKVASMH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-2-8-17(9-3-1)22-25-21(28-26-22)13-7-15-27-14-6-10-18(16-27)23-24-19-11-4-5-12-20(19)29-23/h1-5,8-9,11-12,18H,6-7,10,13-16H2/t18-/m1/s1.
What are the key properties of 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 404.54 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 8653357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).