5-fluoro-2-thiophen-2-yl-1,3-benzoxazole

C11H6FNOS — CID 102366712

IUPAC5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
SMILESFc1ccc2oc(-c3cccs3)nc2c1
InChIInChI=1S/C11H6FNOS/c12-7-3-4-9-8(6-7)13-11(14-9)10-2-1-5-15-10/h1-6H
InChIKeyVIYDBKDEERGIGW-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.70
Rot. Bonds1

About 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole

5-fluoro-2-thiophen-2-yl-1,3-benzoxazole (PubChem CID 102366712) has the molecular formula C11H6FNOS and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
PubChem CID102366712
Molecular FormulaC11H6FNOS
Molecular Weight219.24 g/mol
Exact Mass219.02
IUPAC Name5-fluoro-2-thiophen-2-yl-1,3-benzoxazole
SMILESFc1ccc2oc(-c3cccs3)nc2c1
InChIInChI=1S/C11H6FNOS/c12-7-3-4-9-8(6-7)13-11(14-9)10-2-1-5-15-10/h1-6H
InChIKeyVIYDBKDEERGIGW-UHFFFAOYSA-N
XLogP3.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-7-(2-thiophen-2-yl-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169314270
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
thiophene;2-thiophen-2-yl-1,3-benzoxazole
CID 174523834
6-tert-butyl-2-thiophen-2-yl-1,3-benzoxazole
CID 135062583
5-fluoro-2-(1H-pyrrol-2-yl)-1,3-benzoxazole
CID 137012756
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
3-(2-thiophen-2-yl-1,3-benzoxazol-6-yl)-1H-pyridazin-6-one
CID 67465258
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-(3-fluorophenyl)-1,3-benzoxazole-5-sulfinic acid
CID 174517894
(2-thiophen-2-yl-1,3-benzoxazol-4-yl)methanol
CID 54527249

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole (CID 102366712) is 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole is Fc1ccc2oc(-c3cccs3)nc2c1.
What is the InChIKey of 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole?
The InChIKey is VIYDBKDEERGIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNOS/c12-7-3-4-9-8(6-7)13-11(14-9)10-2-1-5-15-10/h1-6H.
What are the key properties of 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole?
5-fluoro-2-thiophen-2-yl-1,3-benzoxazole has a molecular weight of 219.24 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-thiophen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 102366712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).