2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole

C21H12FNOS — CID 23025520

IUPAC2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccccc1-c1ccc2nc(-c3cc4ccccc4s3)oc2c1
InChIInChI=1S/C21H12FNOS/c22-16-7-3-2-6-15(16)13-9-10-17-18(11-13)24-21(23-17)20-12-14-5-1-4-8-19(14)25-20/h1-12H
InChIKeyFHUSQNYNUZPGCT-UHFFFAOYSA-N
MW345.40 g/mol
LogP6.52
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole

2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole (PubChem CID 23025520) has the molecular formula C21H12FNOS and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole
PubChem CID23025520
Molecular FormulaC21H12FNOS
Molecular Weight345.40 g/mol
Exact Mass345.06
IUPAC Name2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole
SMILESFc1ccccc1-c1ccc2nc(-c3cc4ccccc4s3)oc2c1
InChIInChI=1S/C21H12FNOS/c22-16-7-3-2-6-15(16)13-9-10-17-18(11-13)24-21(23-17)20-12-14-5-1-4-8-19(14)25-20/h1-12H
InChIKeyFHUSQNYNUZPGCT-UHFFFAOYSA-N
XLogP6.52
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole (CID 23025520) is 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole is Fc1ccccc1-c1ccc2nc(-c3cc4ccccc4s3)oc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole?
The InChIKey is FHUSQNYNUZPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FNOS/c22-16-7-3-2-6-15(16)13-9-10-17-18(11-13)24-21(23-17)20-12-14-5-1-4-8-19(14)25-20/h1-12H.
What are the key properties of 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole?
2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole has a molecular weight of 345.40 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-6-(2-fluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 23025520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).