2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile

C20H18FN5O4 — CID 156516938

IUPAC2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile
SMILESCOc1nc(N2CCN(c3ccc(C#N)c(F)c3)C2=O)ccc1C[C@H]1COC(=O)N1
InChIInChI=1S/C20H18FN5O4/c1-29-18-12(8-14-11-30-19(27)23-14)3-5-17(24-18)26-7-6-25(20(26)28)15-4-2-13(10-22)16(21)9-15/h2-5,9,14H,6-8,11H2,1H3,(H,23,27)/t14-/m0/s1
InChIKeyCEHAZQHWPQFOMZ-AWEZNQCLSA-N
MW411.39 g/mol
LogP2.20
Rot. Bonds5

About 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile

2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile (PubChem CID 156516938) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile
PubChem CID156516938
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile
SMILESCOc1nc(N2CCN(c3ccc(C#N)c(F)c3)C2=O)ccc1C[C@H]1COC(=O)N1
InChIInChI=1S/C20H18FN5O4/c1-29-18-12(8-14-11-30-19(27)23-14)3-5-17(24-18)26-7-6-25(20(26)28)15-4-2-13(10-22)16(21)9-15/h2-5,9,14H,6-8,11H2,1H3,(H,23,27)/t14-/m0/s1
InChIKeyCEHAZQHWPQFOMZ-AWEZNQCLSA-N
XLogP2.20
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile (CID 156516938) is 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile is COc1nc(N2CCN(c3ccc(C#N)c(F)c3)C2=O)ccc1C[C@H]1COC(=O)N1.
What is the InChIKey of 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile?
The InChIKey is CEHAZQHWPQFOMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-29-18-12(8-14-11-30-19(27)23-14)3-5-17(24-18)26-7-6-25(20(26)28)15-4-2-13(10-22)16(21)9-15/h2-5,9,14H,6-8,11H2,1H3,(H,23,27)/t14-/m0/s1.
What are the key properties of 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile?
2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile has a molecular weight of 411.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 156516938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).