N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H22FN3O4 — CID 44574859

IUPACN-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CC(O)C4(CC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22FN3O4/c1-11(23)20-7-13-8-22(17(25)26-13)12-2-3-15(14(19)6-12)21-9-16(24)18(10-21)4-5-18/h2-3,6,13,16,24H,4-5,7-10H2,1H3,(H,20,23)/t13-,16?/m0/s1
InChIKeyLZYSGKDCPZJPLQ-KNVGNIICSA-N
MW363.39 g/mol
LogP1.25
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 44574859) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID44574859
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CC(O)C4(CC4)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H22FN3O4/c1-11(23)20-7-13-8-22(17(25)26-13)12-2-3-15(14(19)6-12)21-9-16(24)18(10-21)4-5-18/h2-3,6,13,16,24H,4-5,7-10H2,1H3,(H,20,23)/t13-,16?/m0/s1
InChIKeyLZYSGKDCPZJPLQ-KNVGNIICSA-N
XLogP1.25
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 44574859) is N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CC(O)C4(CC4)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LZYSGKDCPZJPLQ-KNVGNIICSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-11(23)20-7-13-8-22(17(25)26-13)12-2-3-15(14(19)6-12)21-9-16(24)18(10-21)4-5-18/h2-3,6,13,16,24H,4-5,7-10H2,1H3,(H,20,23)/t13-,16?/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 363.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 44574859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).