5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C19H17BrFN3O5S — CID 58777754

IUPAC5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1)c1ccc(Br)s1
InChIInChI=1S/C19H17BrFN3O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10H2,(H,22,26)/t12-/m0/s1
InChIKeyAVDMAGXTFXQPIZ-LBPRGKRZSA-N
MW498.33 g/mol
LogP2.77
Rot. Bonds5

About 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 58777754) has the molecular formula C19H17BrFN3O5S and a molecular weight of 498.33 g/mol. Its IUPAC name is 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID58777754
Molecular FormulaC19H17BrFN3O5S
Molecular Weight498.33 g/mol
Exact Mass497.01
IUPAC Name5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1)c1ccc(Br)s1
InChIInChI=1S/C19H17BrFN3O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10H2,(H,22,26)/t12-/m0/s1
InChIKeyAVDMAGXTFXQPIZ-LBPRGKRZSA-N
XLogP2.77
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 58777754) is 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is AVDMAGXTFXQPIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17BrFN3O5S/c20-16-4-3-15(30-16)18(26)22-8-12-9-24(19(27)29-12)11-1-2-14(13(21)7-11)23-5-6-28-10-17(23)25/h1-4,7,12H,5-6,8-10H2,(H,22,26)/t12-/m0/s1.
What are the key properties of 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 498.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58777754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).