N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide

C18H20N4O2S — CID 166261564

IUPACN-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1nsc2ccccc12)c1ncoc1C1CCNCC1
InChIInChI=1S/C18H20N4O2S/c23-18(16-17(24-11-21-16)12-5-8-19-9-6-12)20-10-7-14-13-3-1-2-4-15(13)25-22-14/h1-4,11-12,19H,5-10H2,(H,20,23)
InChIKeyUMWVGMRYSONBQO-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 166261564) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID166261564
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1nsc2ccccc12)c1ncoc1C1CCNCC1
InChIInChI=1S/C18H20N4O2S/c23-18(16-17(24-11-21-16)12-5-8-19-9-6-12)20-10-7-14-13-3-1-2-4-15(13)25-22-14/h1-4,11-12,19H,5-10H2,(H,20,23)
InChIKeyUMWVGMRYSONBQO-UHFFFAOYSA-N
XLogP2.72
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide 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 N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 166261564) is N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide is O=C(NCCc1nsc2ccccc12)c1ncoc1C1CCNCC1.
What is the InChIKey of N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is UMWVGMRYSONBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-18(16-17(24-11-21-16)12-5-8-19-9-6-12)20-10-7-14-13-3-1-2-4-15(13)25-22-14/h1-4,11-12,19H,5-10H2,(H,20,23).
What are the key properties of N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzothiazol-3-yl)ethyl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166261564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).