5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C20H24N4O4 — CID 97271643

About 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 97271643) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 97271643
• Molecular Formula: C20H24N4O4
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.18
• IUPAC Name: 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC[C@@H]2CCCN(CCn3c(=O)oc4ccccc43)C2)no1
• InChI: InChI=1S/C20H24N4O4/c1-14-11-16(22-28-14)19(25)21-12-15-5-4-8-23(13-15)9-10-24-17-6-2-3-7-18(17)27-20(24)26/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3,(H,21,25)/t15-/m0/s1
• InChIKey: AIYFJDRJMBKMSS-HNNXBMFYSA-N
• XLogP: 2.03
• TPSA: 93.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 97271643) is 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H]2CCCN(CCn3c(=O)oc4ccccc43)C2)no1.

What is the InChIKey of 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is AIYFJDRJMBKMSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-11-16(22-28-14)19(25)21-12-15-5-4-8-23(13-15)9-10-24-17-6-2-3-7-18(17)27-20(24)26/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3,(H,21,25)/t15-/m0/s1.

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

5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[[(3S)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97271643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).