6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H15FN4O3S — CID 24655262

IUPAC6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3coc(-c4cccs4)n3)c12
InChIInChI=1S/C22H15FN4O3S/c1-12-19-15(9-17(26-22(19)30-27-12)14-5-2-3-6-16(14)23)20(28)24-10-13-11-29-21(25-13)18-7-4-8-31-18/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyBRUYKZNZMVQDAA-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.98
Rot. Bonds5

About 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24655262) has the molecular formula C22H15FN4O3S and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24655262
Molecular FormulaC22H15FN4O3S
Molecular Weight434.45 g/mol
Exact Mass434.08
IUPAC Name6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3coc(-c4cccs4)n3)c12
InChIInChI=1S/C22H15FN4O3S/c1-12-19-15(9-17(26-22(19)30-27-12)14-5-2-3-6-16(14)23)20(28)24-10-13-11-29-21(25-13)18-7-4-8-31-18/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyBRUYKZNZMVQDAA-UHFFFAOYSA-N
XLogP4.98
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24655262) is 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3coc(-c4cccs4)n3)c12.
What is the InChIKey of 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BRUYKZNZMVQDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3S/c1-12-19-15(9-17(26-22(19)30-27-12)14-5-2-3-6-16(14)23)20(28)24-10-13-11-29-21(25-13)18-7-4-8-31-18/h2-9,11H,10H2,1H3,(H,24,28).
What are the key properties of 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-3-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24655262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).