N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide

C17H28N4O4 — CID 75536440

About N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide (PubChem CID 75536440) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide
• PubChem CID: 75536440
• Molecular Formula: C17H28N4O4
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.21
• IUPAC Name: N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O
• InChI: InChI=1S/C17H28N4O4/c1-12(22)19-10-17-16(23)3-2-14(24-17)8-13-9-15(25-20-13)11-21-6-4-18-5-7-21/h9,14,16-18,23H,2-8,10-11H2,1H3,(H,19,22)/t14-,16-,17+/m0/s1
• InChIKey: YAMHIQBMYRSVCS-BHYGNILZSA-N
• XLogP: -0.33
• TPSA: 99.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide?

The IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide (CID 75536440) is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide?

The canonical SMILES for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCNCC3)on2)CC[C@@H]1O.

What is the InChIKey of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide?

The InChIKey is YAMHIQBMYRSVCS-BHYGNILZSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-12(22)19-10-17-16(23)3-2-14(24-17)8-13-9-15(25-20-13)11-21-6-4-18-5-7-21/h9,14,16-18,23H,2-8,10-11H2,1H3,(H,19,22)/t14-,16-,17+/m0/s1.

What are the key properties of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide?

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 75536440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).