(3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C19H19N5O4S — CID 51962716

About (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

(3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 51962716) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 51962716
• Molecular Formula: C19H19N5O4S
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.12
• IUPAC Name: (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)N2CCC[C@H](C(=O)Nc3nncs3)C2)no1
• InChI: InChI=1S/C19H19N5O4S/c1-27-15-7-3-2-6-13(15)16-9-14(23-28-16)18(26)24-8-4-5-12(10-24)17(25)21-19-22-20-11-29-19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,21,22,25)/t12-/m0/s1
• InChIKey: KMTZQUUQBQOMHE-LBPRGKRZSA-N
• XLogP: 2.69
• TPSA: 110.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 51962716) is (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is COc1ccccc1-c1cc(C(=O)N2CCC[C@H](C(=O)Nc3nncs3)C2)no1.

What is the InChIKey of (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is KMTZQUUQBQOMHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-27-15-7-3-2-6-13(15)16-9-14(23-28-16)18(26)24-8-4-5-12(10-24)17(25)21-19-22-20-11-29-19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,21,22,25)/t12-/m0/s1.

What are the key properties of (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?

(3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51962716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).