N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

C16H11FN2O2S — CID 20943496

IUPACN-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C16H11FN2O2S/c17-9-1-3-10(4-2-9)18-16(20)14-12-5-6-13-11(7-8-22-13)15(12)21-19-14/h1-4,7-8H,5-6H2,(H,18,20)
InChIKeyKFLZSVUNBQXZTH-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.89
Rot. Bonds2

About N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943496) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943496
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC NameN-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C16H11FN2O2S/c17-9-1-3-10(4-2-9)18-16(20)14-12-5-6-13-11(7-8-22-13)15(12)21-19-14/h1-4,7-8H,5-6H2,(H,18,20)
InChIKeyKFLZSVUNBQXZTH-UHFFFAOYSA-N
XLogP3.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943496) is N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is O=C(Nc1ccc(F)cc1)c1noc2c1CCc1sccc1-2.
What is the InChIKey of N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is KFLZSVUNBQXZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-9-1-3-10(4-2-9)18-16(20)14-12-5-6-13-11(7-8-22-13)15(12)21-19-14/h1-4,7-8H,5-6H2,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).