7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole

C16H11FN2O — CID 123167762

IUPAC7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole
SMILESCn1cc(-c2nc3cccc(F)c3o2)c2ccccc21
InChIInChI=1S/C16H11FN2O/c1-19-9-11(10-5-2-3-8-14(10)19)16-18-13-7-4-6-12(17)15(13)20-16/h2-9H,1H3
InChIKeyIQAHYHSGGUAXFG-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.13
Rot. Bonds1

About 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole

7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole (PubChem CID 123167762) has the molecular formula C16H11FN2O and a molecular weight of 266.27 g/mol. Its IUPAC name is 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole
PubChem CID123167762
Molecular FormulaC16H11FN2O
Molecular Weight266.27 g/mol
Exact Mass266.09
IUPAC Name7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole
SMILESCn1cc(-c2nc3cccc(F)c3o2)c2ccccc21
InChIInChI=1S/C16H11FN2O/c1-19-9-11(10-5-2-3-8-14(10)19)16-18-13-7-4-6-12(17)15(13)20-16/h2-9H,1H3
InChIKeyIQAHYHSGGUAXFG-UHFFFAOYSA-N
XLogP4.13
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
2-(3-Pyridyl)benzoxazole
CID 16803
5-fluoro-PB-22
CID 72710774
1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
PD-0333941
CID 10134976
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
FUB-PB-22 compound
CID 91936864
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
1-{1-[2-(4-Fluoro-phenoxy)-ethyl]-1H-indol-3-yl}-ethanone
CID 1088558
6-(3-Benzooxazol-2-yl-phenyl)-pyrrolo[3,4-b]pyridine-5,7-dione
CID 649463
2-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 659778

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole?
The IUPAC name of 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole (CID 123167762) is 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole?
The canonical SMILES for 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole is Cn1cc(-c2nc3cccc(F)c3o2)c2ccccc21.
What is the InChIKey of 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole?
The InChIKey is IQAHYHSGGUAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c1-19-9-11(10-5-2-3-8-14(10)19)16-18-13-7-4-6-12(17)15(13)20-16/h2-9H,1H3.
What are the key properties of 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole?
7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole has a molecular weight of 266.27 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(1-methylindol-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 123167762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).