(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one

C21H22FN5O3 — CID 127037766

About (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 127037766) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 127037766
• Molecular Formula: C21H22FN5O3
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.17
• IUPAC Name: (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one
• SMILES: CN(CCO)C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C21H22FN5O3/c1-25(8-9-28)13-17-14-26(21(29)30-17)16-5-6-20(18(22)10-16)27-12-15(11-24-27)19-4-2-3-7-23-19/h2-7,10-12,17,28H,8-9,13-14H2,1H3/t17-/m0/s1
• InChIKey: CWLFEHLOVROMBI-KRWDZBQOSA-N
• XLogP: 2.32
• TPSA: 83.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one (CID 127037766) is (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one is CN(CCO)C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.

What is the InChIKey of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one?

The InChIKey is CWLFEHLOVROMBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-25(8-9-28)13-17-14-26(21(29)30-17)16-5-6-20(18(22)10-16)27-12-15(11-24-27)19-4-2-3-7-23-19/h2-7,10-12,17,28H,8-9,13-14H2,1H3/t17-/m0/s1.

What are the key properties of (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one?

(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 411.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 127037766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).