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

C17H13FN2O3 — CID 70042439

IUPAC[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate
SMILESCC(=O)Oc1ccc2nc(N3CCc4ccccc43)oc2c1F
InChIInChI=1S/C17H13FN2O3/c1-10(21)22-14-7-6-12-16(15(14)18)23-17(19-12)20-9-8-11-4-2-3-5-13(11)20/h2-7H,8-9H2,1H3
InChIKeyJJFLGDCJDKKKPB-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.59
Rot. Bonds2

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

[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate (PubChem CID 70042439) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate
PubChem CID70042439
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate
SMILESCC(=O)Oc1ccc2nc(N3CCc4ccccc43)oc2c1F
InChIInChI=1S/C17H13FN2O3/c1-10(21)22-14-7-6-12-16(15(14)18)23-17(19-12)20-9-8-11-4-2-3-5-13(11)20/h2-7H,8-9H2,1H3
InChIKeyJJFLGDCJDKKKPB-UHFFFAOYSA-N
XLogP3.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] propanoate
CID 174464430
2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid
CID 50806091
2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
CID 79881637
5-(2,3-dihydroindol-1-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 20912208
2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 68657629
methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate
CID 106696904
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688286
N-(2,6-difluorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335446
dibenzofuran-1-yl acetate
CID 14227245
4-(2,3-dihydroindol-1-yl)-2-phenylquinoline
CID 91742521
1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
CID 86070231

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate (CID 70042439) is [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate is CC(=O)Oc1ccc2nc(N3CCc4ccccc43)oc2c1F.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate?
The InChIKey is JJFLGDCJDKKKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-10(21)22-14-7-6-12-16(15(14)18)23-17(19-12)20-9-8-11-4-2-3-5-13(11)20/h2-7H,8-9H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate?
[2-(2,3-dihydroindol-1-yl)-7-fluoro-1,3-benzoxazol-6-yl] acetate has a molecular weight of 312.30 g/mol, XLogP of 3.59, 2 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] acetate is sourced from PubChem (CID 70042439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).