N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H20N4O3 — CID 20616612

About N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 20616612) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 20616612
• Molecular Formula: C21H20N4O3
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.15
• IUPAC Name: N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C3(C#N)CC3)c(-c3cccnc3)c2)C(=O)O1
• InChI: InChI=1S/C21H20N4O3/c1-14(26)24-11-17-12-25(20(27)28-17)16-4-5-19(21(13-22)6-7-21)18(9-16)15-3-2-8-23-10-15/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,24,26)/t17-/m0/s1
• InChIKey: CBTIPAJKRLQBKX-KRWDZBQOSA-N
• XLogP: 2.77
• TPSA: 95.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 20616612) is N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(C3(C#N)CC3)c(-c3cccnc3)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is CBTIPAJKRLQBKX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)24-11-17-12-25(20(27)28-17)16-4-5-19(21(13-22)6-7-21)18(9-16)15-3-2-8-23-10-15/h2-5,8-10,17H,6-7,11-12H2,1H3,(H,24,26)/t17-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 20616612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).