5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine

C15H13FN2O — CID 82095452

IUPAC5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
SMILESNc1cc(F)cc2nc(CCc3ccccc3)oc12
InChIInChI=1S/C15H13FN2O/c16-11-8-12(17)15-13(9-11)18-14(19-15)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,17H2
InChIKeyXLIPNXQVHHJCQI-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.33
Rot. Bonds3

About 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine

5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine (PubChem CID 82095452) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
PubChem CID82095452
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
SMILESNc1cc(F)cc2nc(CCc3ccccc3)oc12
InChIInChI=1S/C15H13FN2O/c16-11-8-12(17)15-13(9-11)18-14(19-15)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,17H2
InChIKeyXLIPNXQVHHJCQI-UHFFFAOYSA-N
XLogP3.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095491
2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82231108
2-[2-(3-methylphenyl)ethyl]-1,3-benzoxazol-7-amine
CID 28752287
3-[2-(1,3-benzoxazol-2-yl)ethyl]aniline
CID 80502507
2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107273857
[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]boronic acid
CID 44520555
2-(4-bromophenyl)-5-fluoro-1,3-benzoxazol-7-amine
CID 82234229
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
5-butyl-2-propyl-1,3-benzoxazol-7-amine
CID 94977224
2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine
CID 82095441
6-methyl-2-(2-phenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337860

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine (CID 82095452) is 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine is Nc1cc(F)cc2nc(CCc3ccccc3)oc12.
What is the InChIKey of 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
The InChIKey is XLIPNXQVHHJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-11-8-12(17)15-13(9-11)18-14(19-15)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,17H2.
What are the key properties of 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine?
5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine has a molecular weight of 256.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82095452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).