N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C21H23N5O4 — CID 124941881

About N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 124941881) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 124941881
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.18
• IUPAC Name: N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
• InChI: InChI=1S/C21H23N5O4/c1-14-19(25-30-24-14)20(28)22-12-18(27)26-9-5-8-16(13-26)21-23-11-17(29-21)10-15-6-3-2-4-7-15/h2-4,6-7,11,16H,5,8-10,12-13H2,1H3,(H,22,28)/t16-/m1/s1
• InChIKey: AQQHLSFQIDCQBK-MRXNPFEDSA-N
• XLogP: 2.09
• TPSA: 114.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 124941881) is N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1.

What is the InChIKey of N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is AQQHLSFQIDCQBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-14-19(25-30-24-14)20(28)22-12-18(27)26-9-5-8-16(13-26)21-23-11-17(29-21)10-15-6-3-2-4-7-15/h2-4,6-7,11,16H,5,8-10,12-13H2,1H3,(H,22,28)/t16-/m1/s1.

What are the key properties of N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 124941881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).