N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H23FN6O3 — CID 10525838

IUPACN-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cnccn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H23FN6O3/c1-14(28)24-11-16-13-27(20(29)30-16)15-2-3-18(17(21)10-15)25-6-8-26(9-7-25)19-12-22-4-5-23-19/h2-5,10,12,16H,6-9,11,13H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyWCYHSMCBKDTYQP-INIZCTEOSA-N
MW414.44 g/mol
LogP1.40
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10525838) has the molecular formula C20H23FN6O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10525838
Molecular FormulaC20H23FN6O3
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cnccn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H23FN6O3/c1-14(28)24-11-16-13-27(20(29)30-16)15-2-3-18(17(21)10-15)25-6-8-26(9-7-25)19-12-22-4-5-23-19/h2-5,10,12,16H,6-9,11,13H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyWCYHSMCBKDTYQP-INIZCTEOSA-N
XLogP1.40
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10525838) is N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cnccn4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WCYHSMCBKDTYQP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-14(28)24-11-16-13-27(20(29)30-16)15-2-3-18(17(21)10-15)25-6-8-26(9-7-25)19-12-22-4-5-23-19/h2-5,10,12,16H,6-9,11,13H2,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 414.44 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10525838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).