2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine

C16H14FN3O — CID 103494165

IUPAC2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(CN3CCc4ccc(F)cc43)nc12
InChIInChI=1S/C16H14FN3O/c17-11-5-4-10-6-7-20(13(10)8-11)9-15-19-16-12(18)2-1-3-14(16)21-15/h1-5,8H,6-7,9,18H2
InChIKeyZWRMPXHXKLIQCX-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.11
Rot. Bonds2

About 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine

2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine (PubChem CID 103494165) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine
PubChem CID103494165
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(CN3CCc4ccc(F)cc43)nc12
InChIInChI=1S/C16H14FN3O/c17-11-5-4-10-6-7-20(13(10)8-11)9-15-19-16-12(18)2-1-3-14(16)21-15/h1-5,8H,6-7,9,18H2
InChIKeyZWRMPXHXKLIQCX-UHFFFAOYSA-N
XLogP3.11
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine (CID 103494165) is 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine is Nc1cccc2oc(CN3CCc4ccc(F)cc43)nc12.
What is the InChIKey of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine?
The InChIKey is ZWRMPXHXKLIQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-11-5-4-10-6-7-20(13(10)8-11)9-15-19-16-12(18)2-1-3-14(16)21-15/h1-5,8H,6-7,9,18H2.
What are the key properties of 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine?
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine has a molecular weight of 283.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 103494165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).