N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H23N5O4 — CID 53130471

About N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53130471) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 53130471
• Molecular Formula: C19H23N5O4
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.18
• IUPAC Name: N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC1CCN(CCNC(=O)c2nc(Cn3c(=O)oc4ccccc43)no2)CC1
• InChI: InChI=1S/C19H23N5O4/c1-13-6-9-23(10-7-13)11-8-20-17(25)18-21-16(22-28-18)12-24-14-4-2-3-5-15(14)27-19(24)26/h2-5,13H,6-12H2,1H3,(H,20,25)
• InChIKey: WATSLEHQGIEUSH-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 106.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 53130471) is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(CCNC(=O)c2nc(Cn3c(=O)oc4ccccc43)no2)CC1.

What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is WATSLEHQGIEUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13-6-9-23(10-7-13)11-8-20-17(25)18-21-16(22-28-18)12-24-14-4-2-3-5-15(14)27-19(24)26/h2-5,13H,6-12H2,1H3,(H,20,25).

What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?

N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53130471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).