(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C16H18FN5O3 — CID 10089031

IUPAC(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C16H18FN5O3/c17-14-9-12(1-2-15(14)20-5-7-24-8-6-20)22-11-13(25-16(22)23)10-21-4-3-18-19-21/h1-4,9,13H,5-8,10-11H2/t13-/m0/s1
InChIKeyRJOWXICICPFHLU-ZDUSSCGKSA-N
MW347.35 g/mol
LogP1.28
Rot. Bonds4

About (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10089031) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10089031
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C16H18FN5O3/c17-14-9-12(1-2-15(14)20-5-7-24-8-6-20)22-11-13(25-16(22)23)10-21-4-3-18-19-21/h1-4,9,13H,5-8,10-11H2/t13-/m0/s1
InChIKeyRJOWXICICPFHLU-ZDUSSCGKSA-N
XLogP1.28
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
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 (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10089031) is (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is RJOWXICICPFHLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18FN5O3/c17-14-9-12(1-2-15(14)20-5-7-24-8-6-20)22-11-13(25-16(22)23)10-21-4-3-18-19-21/h1-4,9,13H,5-8,10-11H2/t13-/m0/s1.
What are the key properties of (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 347.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10089031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).