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

C21H24FN5O3 — CID 10525775

IUPACN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H24FN5O3/c1-15(28)24-13-17-14-27(21(29)30-17)16-5-6-19(18(22)12-16)25-8-10-26(11-9-25)20-4-2-3-7-23-20/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyBXUCYYQHKCMHKS-KRWDZBQOSA-N
MW413.45 g/mol
LogP2.01
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10525775) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10525775
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H24FN5O3/c1-15(28)24-13-17-14-27(21(29)30-17)16-5-6-19(18(22)12-16)25-8-10-26(11-9-25)20-4-2-3-7-23-20/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyBXUCYYQHKCMHKS-KRWDZBQOSA-N
XLogP2.01
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyridin-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-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10525775) is N-[[(5S)-3-[3-fluoro-4-(4-pyridin-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-pyridin-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-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccccn4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BXUCYYQHKCMHKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-15(28)24-13-17-14-27(21(29)30-17)16-5-6-19(18(22)12-16)25-8-10-26(11-9-25)20-4-2-3-7-23-20/h2-7,12,17H,8-11,13-14H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 413.45 g/mol, XLogP of 2.01, 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-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10525775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).