6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H12N4O3S — CID 19616047

IUPAC6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C20H12N4O3S/c25-18(23-20-21-8-10-28-20)13-11-14(15-7-4-9-26-15)22-19-16(13)17(24-27-19)12-5-2-1-3-6-12/h1-11H,(H,21,23,25)
InChIKeyXWSKZZKZFBXJOB-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.86
Rot. Bonds4

About 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19616047) has the molecular formula C20H12N4O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19616047
Molecular FormulaC20H12N4O3S
Molecular Weight388.41 g/mol
Exact Mass388.06
IUPAC Name6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C20H12N4O3S/c25-18(23-20-21-8-10-28-20)13-11-14(15-7-4-9-26-15)22-19-16(13)17(24-27-19)12-5-2-1-3-6-12/h1-11H,(H,21,23,25)
InChIKeyXWSKZZKZFBXJOB-UHFFFAOYSA-N
XLogP4.86
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 19616047) is 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1nccs1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XWSKZZKZFBXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3S/c25-18(23-20-21-8-10-28-20)13-11-14(15-7-4-9-26-15)22-19-16(13)17(24-27-19)12-5-2-1-3-6-12/h1-11H,(H,21,23,25).
What are the key properties of 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19616047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).