3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole

C16H13FN2O — CID 171704666

IUPAC3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole
SMILESFc1ccc2onc(CN3CCc4ccccc43)c2c1
InChIInChI=1S/C16H13FN2O/c17-12-5-6-16-13(9-12)14(18-20-16)10-19-8-7-11-3-1-2-4-15(11)19/h1-6,9H,7-8,10H2
InChIKeyYQZZKESYCWUEBR-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.53
Rot. Bonds2

About 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole

3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole (PubChem CID 171704666) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole
PubChem CID171704666
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole
SMILESFc1ccc2onc(CN3CCc4ccccc43)c2c1
InChIInChI=1S/C16H13FN2O/c17-12-5-6-16-13(9-12)14(18-20-16)10-19-8-7-11-3-1-2-4-15(11)19/h1-6,9H,7-8,10H2
InChIKeyYQZZKESYCWUEBR-UHFFFAOYSA-N
XLogP3.53
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole?
The IUPAC name of 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole (CID 171704666) is 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole is Fc1ccc2onc(CN3CCc4ccccc43)c2c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole?
The InChIKey is YQZZKESYCWUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-12-5-6-16-13(9-12)14(18-20-16)10-19-8-7-11-3-1-2-4-15(11)19/h1-6,9H,7-8,10H2.
What are the key properties of 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole?
3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole has a molecular weight of 268.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylmethyl)-5-fluoro-1,2-benzoxazole is sourced from PubChem (CID 171704666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).