2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole

C16H13FN2O — CID 80575377

IUPAC2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(CC3CNc4ccccc43)nc2c1
InChIInChI=1S/C16H13FN2O/c17-11-5-6-15-14(8-11)19-16(20-15)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8,10,18H,7,9H2
InChIKeyDVVXTMUCBUHOSC-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.72
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole

2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole (PubChem CID 80575377) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole
PubChem CID80575377
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(CC3CNc4ccccc43)nc2c1
InChIInChI=1S/C16H13FN2O/c17-11-5-6-15-14(8-11)19-16(20-15)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8,10,18H,7,9H2
InChIKeyDVVXTMUCBUHOSC-UHFFFAOYSA-N
XLogP3.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.72
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-ylmethyl)-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole (CID 80575377) is 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole is Fc1ccc2oc(CC3CNc4ccccc43)nc2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole?
The InChIKey is DVVXTMUCBUHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-11-5-6-15-14(8-11)19-16(20-15)7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8,10,18H,7,9H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole?
2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole has a molecular weight of 268.29 g/mol, XLogP of 3.72, 2 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-ylmethyl)-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 80575377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).