N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C19H26N6O3S — CID 20958205

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 20958205) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 20958205
• Molecular Formula: C19H26N6O3S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.18
• IUPAC Name: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1noc(C)c1CCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1
• InChI: InChI=1S/C19H26N6O3S/c1-12-15(13(2)28-23-12)5-8-20-17(27)14-6-10-24(11-7-14)18-21-22-19(29-18)25-9-3-4-16(25)26/h14H,3-11H2,1-2H3,(H,20,27)
• InChIKey: FCFCUFJLGWFXFZ-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 104.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 20958205) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is Cc1noc(C)c1CCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1.

What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is FCFCUFJLGWFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-12-15(13(2)28-23-12)5-8-20-17(27)14-6-10-24(11-7-14)18-21-22-19(29-18)25-9-3-4-16(25)26/h14H,3-11H2,1-2H3,(H,20,27).

What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20958205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).