[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate

C18H15FN2O3 — CID 174464430

IUPAC[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate
SMILESCCC(=O)Oc1ccc2nc(N3CCc4ccccc43)oc2c1F
InChIInChI=1S/C18H15FN2O3/c1-2-15(22)23-14-8-7-12-17(16(14)19)24-18(20-12)21-10-9-11-5-3-4-6-13(11)21/h3-8H,2,9-10H2,1H3
InChIKeyRJMYLVQOOJASFJ-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.98
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate

[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate (PubChem CID 174464430) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate
PubChem CID174464430
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate
SMILESCCC(=O)Oc1ccc2nc(N3CCc4ccccc43)oc2c1F
InChIInChI=1S/C18H15FN2O3/c1-2-15(22)23-14-8-7-12-17(16(14)19)24-18(20-12)21-10-9-11-5-3-4-6-13(11)21/h3-8H,2,9-10H2,1H3
InChIKeyRJMYLVQOOJASFJ-UHFFFAOYSA-N
XLogP3.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate (CID 174464430) is [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate is CCC(=O)Oc1ccc2nc(N3CCc4ccccc43)oc2c1F.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate?
The InChIKey is RJMYLVQOOJASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-2-15(22)23-14-8-7-12-17(16(14)19)24-18(20-12)21-10-9-11-5-3-4-6-13(11)21/h3-8H,2,9-10H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate?
[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate has a molecular weight of 326.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate is sourced from PubChem (CID 174464430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).