[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea

C15H19FN4O3S — CID 10736836

IUPAC[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea
SMILESNC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19FN4O3S/c16-12-7-10(1-2-13(12)19-3-5-24-6-4-19)20-9-11(23-15(20)22)8-18-14(17)21/h1-2,7,11H,3-6,8-9H2,(H3,17,18,21)/t11-/m0/s1
InChIKeySVBVSLYLVGOSNH-NSHDSACASA-N
MW354.41 g/mol
LogP1.37
Rot. Bonds4

About [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea

[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea (PubChem CID 10736836) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea.

Molecular Properties

Compound Name[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea
PubChem CID10736836
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea
SMILESNC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19FN4O3S/c16-12-7-10(1-2-13(12)19-3-5-24-6-4-19)20-9-11(23-15(20)22)8-18-14(17)21/h1-2,7,11H,3-6,8-9H2,(H3,17,18,21)/t11-/m0/s1
InChIKeySVBVSLYLVGOSNH-NSHDSACASA-N
XLogP1.37
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.37
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 [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea?
The IUPAC name of [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea (CID 10736836) is [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea.
What is the SMILES notation for [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea?
The canonical SMILES for [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea is NC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1.
What is the InChIKey of [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea?
The InChIKey is SVBVSLYLVGOSNH-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN4O3S/c16-12-7-10(1-2-13(12)19-3-5-24-6-4-19)20-9-11(23-15(20)22)8-18-14(17)21/h1-2,7,11H,3-6,8-9H2,(H3,17,18,21)/t11-/m0/s1.
What are the key properties of [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea?
[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea has a molecular weight of 354.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylurea is sourced from PubChem (CID 10736836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).