(2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C18H27N5O3S — CID 125435815

About (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

(2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 125435815) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• PubChem CID: 125435815
• Molecular Formula: C18H27N5O3S
• Molecular Weight: 393.51 g/mol
• Exact Mass: 393.18
• IUPAC Name: (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• SMILES: CCc1nc(C)c(CNC(=O)N2CCCC[C@@H]2c2nc(CCOC)no2)s1
• InChI: InChI=1S/C18H27N5O3S/c1-4-16-20-12(2)14(27-16)11-19-18(24)23-9-6-5-7-13(23)17-21-15(22-26-17)8-10-25-3/h13H,4-11H2,1-3H3,(H,19,24)/t13-/m1/s1
• InChIKey: SJVSBKQPQQOBLX-CYBMUJFWSA-N
• XLogP: 3.02
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.51
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?

The IUPAC name of (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 125435815) is (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

What is the SMILES notation for (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?

The canonical SMILES for (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is CCc1nc(C)c(CNC(=O)N2CCCC[C@@H]2c2nc(CCOC)no2)s1.

What is the InChIKey of (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?

The InChIKey is SJVSBKQPQQOBLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-4-16-20-12(2)14(27-16)11-19-18(24)23-9-6-5-7-13(23)17-21-15(22-26-17)8-10-25-3/h13H,4-11H2,1-3H3,(H,19,24)/t13-/m1/s1.

What are the key properties of (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?

(2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 125435815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).