2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide

C23H17N3O4S — CID 55610356

IUPAC2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C23H17N3O4S/c27-21(24-16-8-4-9-17(14-16)26-11-13-30-23(26)28)20-19(15-6-2-1-3-7-15)25-22(31-20)18-10-5-12-29-18/h1-10,12,14H,11,13H2,(H,24,27)
InChIKeyPQGLALUENJGSTL-UHFFFAOYSA-N
MW431.47 g/mol
LogP5.28
Rot. Bonds5

About 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55610356) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55610356
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC Name2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C23H17N3O4S/c27-21(24-16-8-4-9-17(14-16)26-11-13-30-23(26)28)20-19(15-6-2-1-3-7-15)25-22(31-20)18-10-5-12-29-18/h1-10,12,14H,11,13H2,(H,24,27)
InChIKeyPQGLALUENJGSTL-UHFFFAOYSA-N
XLogP5.28
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 55610356) is 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1cccc(N2CCOC2=O)c1)c1sc(-c2ccco2)nc1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PQGLALUENJGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c27-21(24-16-8-4-9-17(14-16)26-11-13-30-23(26)28)20-19(15-6-2-1-3-7-15)25-22(31-20)18-10-5-12-29-18/h1-10,12,14H,11,13H2,(H,24,27).
What are the key properties of 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55610356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).