N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate

About N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate

N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate (PubChem CID 175294774) has the molecular formula C20H22FN5O10P2 and a molecular weight of 573.37 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate.

Molecular Properties

Compound Name	N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate
PubChem CID	175294774
Molecular Formula	C20H22FN5O10P2
Molecular Weight	573.37 g/mol
Exact Mass	573.08
IUPAC Name	N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate
SMILES	CC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.O=P(O)(O)OP(=O)(O)O
InChI	InChI=1S/C20H18FN5O3.H4O7P2/c1-13(27)23-10-16-12-25(20(28)29-16)15-5-6-19(17(21)8-15)26-11-14(9-24-26)18-4-2-3-7-22-18;1-8(2,3)7-9(4,5)6/h2-9,11,16H,10,12H2,1H3,(H,23,27);(H2,1,2,3)(H2,4,5,6)/t16-;/m0./s1
InChIKey	CFQHOOZGRSOHFA-NTISSMGPSA-N
XLogP	1.72
TPSA	213.64 Å²
H-Bond Donors	5
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.37
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phosphor', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate (CID 175294774) is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.O=P(O)(O)OP(=O)(O)O.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate?

The InChIKey is CFQHOOZGRSOHFA-NTISSMGPSA-N. The full InChI is InChI=1S/C20H18FN5O3.H4O7P2/c1-13(27)23-10-16-12-25(20(28)29-16)15-5-6-19(17(21)8-15)26-11-14(9-24-26)18-4-2-3-7-22-18;1-8(2,3)7-9(4,5)6/h2-9,11,16H,10,12H2,1H3,(H,23,27);(H2,1,2,3)(H2,4,5,6)/t16-;/m0./s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate?

N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate has a molecular weight of 573.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;phosphono dihydrogen phosphate is sourced from PubChem (CID 175294774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).