N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H21N3O4 — CID 20788958

About N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 20788958) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 20788958
• Molecular Formula: C18H21N3O4
• Molecular Weight: 343.38 g/mol
• Exact Mass: 343.15
• IUPAC Name: N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C3=C[C@H]4[C@H](CO)[C@H]4C3)cn2)C(=O)O1
• InChI: InChI=1S/C18H21N3O4/c1-10(23)19-7-13-8-21(18(24)25-13)17-3-2-11(6-20-17)12-4-14-15(5-12)16(14)9-22/h2-4,6,13-16,22H,5,7-9H2,1H3,(H,19,23)/t13-,14+,15-,16-/m0/s1
• InChIKey: PPBQFCARWYRWEK-FZKCQIBNSA-N
• XLogP: 1.18
• TPSA: 91.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 20788958) is N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3=C[C@H]4[C@H](CO)[C@H]4C3)cn2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is PPBQFCARWYRWEK-FZKCQIBNSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-10(23)19-7-13-8-21(18(24)25-13)17-3-2-11(6-20-17)12-4-14-15(5-12)16(14)9-22/h2-4,6,13-16,22H,5,7-9H2,1H3,(H,19,23)/t13-,14+,15-,16-/m0/s1.

What are the key properties of N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[5-[(1S,5S,6R)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hex-2-enyl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 20788958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).