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

C20H19ClFN5O3 — CID 127041724

IUPACN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.Cl
InChIInChI=1S/C20H18FN5O3.ClH/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;/h2-9,11,16H,10,12H2,1H3,(H,23,27);1H/t16-;/m0./s1
InChIKeyWQHADNWPHAHZAI-NTISSMGPSA-N
MW431.86 g/mol
LogP2.96
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride (PubChem CID 127041724) has the molecular formula C20H19ClFN5O3 and a molecular weight of 431.86 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;hydrochloride.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride
PubChem CID127041724
Molecular FormulaC20H19ClFN5O3
Molecular Weight431.86 g/mol
Exact Mass431.12
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.Cl
InChIInChI=1S/C20H18FN5O3.ClH/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;/h2-9,11,16H,10,12H2,1H3,(H,23,27);1H/t16-;/m0./s1
InChIKeyWQHADNWPHAHZAI-NTISSMGPSA-N
XLogP2.96
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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;hydrochloride?
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;hydrochloride (CID 127041724) is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride.
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;hydrochloride?
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;hydrochloride is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1.Cl.
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;hydrochloride?
The InChIKey is WQHADNWPHAHZAI-NTISSMGPSA-N. The full InChI is InChI=1S/C20H18FN5O3.ClH/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;/h2-9,11,16H,10,12H2,1H3,(H,23,27);1H/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;hydrochloride?
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride has a molecular weight of 431.86 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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;hydrochloride is sourced from PubChem (CID 127041724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).