N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide

C18H19FN4O5 — CID 166632706

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1cnco1
InChIInChI=1S/C18H19FN4O5/c19-14-7-12(1-2-15(14)22-3-5-26-6-4-22)23-10-13(28-18(23)25)8-21-17(24)16-9-20-11-27-16/h1-2,7,9,11,13H,3-6,8,10H2,(H,21,24)/t13-/m0/s1
InChIKeySZVLIDFDDAAGFD-ZDUSSCGKSA-N
MW390.37 g/mol
LogP1.41
Rot. Bonds5

About N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 166632706) has the molecular formula C18H19FN4O5 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID166632706
Molecular FormulaC18H19FN4O5
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1cnco1
InChIInChI=1S/C18H19FN4O5/c19-14-7-12(1-2-15(14)22-3-5-26-6-4-22)23-10-13(28-18(23)25)8-21-17(24)16-9-20-11-27-16/h1-2,7,9,11,13H,3-6,8,10H2,(H,21,24)/t13-/m0/s1
InChIKeySZVLIDFDDAAGFD-ZDUSSCGKSA-N
XLogP1.41
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 51.41
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-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide (CID 166632706) is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1cnco1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is SZVLIDFDDAAGFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN4O5/c19-14-7-12(1-2-15(14)22-3-5-26-6-4-22)23-10-13(28-18(23)25)8-21-17(24)16-9-20-11-27-16/h1-2,7,9,11,13H,3-6,8,10H2,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 1.41, 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-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166632706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).