2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole

C15H11FN2O — CID 80566161

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole
SMILESFc1ccc2nc(C3CNc4ccccc43)oc2c1
InChIInChI=1S/C15H11FN2O/c16-9-5-6-13-14(7-9)19-15(18-13)11-8-17-12-4-2-1-3-10(11)12/h1-7,11,17H,8H2
InChIKeyUNWLYLNWKRMXHR-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.52
Rot. Bonds1

About 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole

2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole (PubChem CID 80566161) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole
PubChem CID80566161
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole
SMILESFc1ccc2nc(C3CNc4ccccc43)oc2c1
InChIInChI=1S/C15H11FN2O/c16-9-5-6-13-14(7-9)19-15(18-13)11-8-17-12-4-2-1-3-10(11)12/h1-7,11,17H,8H2
InChIKeyUNWLYLNWKRMXHR-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole (CID 80566161) is 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole is Fc1ccc2nc(C3CNc4ccccc43)oc2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole?
The InChIKey is UNWLYLNWKRMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-9-5-6-13-14(7-9)19-15(18-13)11-8-17-12-4-2-1-3-10(11)12/h1-7,11,17H,8H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole?
2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole has a molecular weight of 254.26 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-6-fluoro-1,3-benzoxazole is sourced from PubChem (CID 80566161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).