2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline

C15H13FN2O — CID 107273857

IUPAC2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline
SMILESNc1ccccc1CCc1nc2ccc(F)cc2o1
InChIInChI=1S/C15H13FN2O/c16-11-6-7-13-14(9-11)19-15(18-13)8-5-10-3-1-2-4-12(10)17/h1-4,6-7,9H,5,8,17H2
InChIKeyOSPPUECHXBSDRJ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.33
Rot. Bonds3

About 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline

2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline (PubChem CID 107273857) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline
PubChem CID107273857
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline
SMILESNc1ccccc1CCc1nc2ccc(F)cc2o1
InChIInChI=1S/C15H13FN2O/c16-11-6-7-13-14(9-11)19-15(18-13)8-5-10-3-1-2-4-12(10)17/h1-4,6-7,9H,5,8,17H2
InChIKeyOSPPUECHXBSDRJ-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 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline 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

2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 107273867
2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline
CID 102696273
6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzoxazole
CID 11499960
1-(6-fluoro-1,3-benzoxazol-2-yl)butan-2-one
CID 112710878
5-fluoro-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095452
2-[2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273782
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
3-[2-(1,3-benzoxazol-2-yl)ethyl]aniline
CID 80502507
N-(2,4-difluorophenyl)-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089404
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline (CID 107273857) is 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline is Nc1ccccc1CCc1nc2ccc(F)cc2o1.
What is the InChIKey of 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline?
The InChIKey is OSPPUECHXBSDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-11-6-7-13-14(9-11)19-15(18-13)8-5-10-3-1-2-4-12(10)17/h1-4,6-7,9H,5,8,17H2.
What are the key properties of 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline?
2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline 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 2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline is sourced from PubChem (CID 107273857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).