2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine

C9H9FN2O2 — CID 15871135

IUPAC2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc2ccc(F)cc12
InChIInChI=1S/C9H9FN2O2/c10-6-1-2-8-7(5-6)9(12-14-8)13-4-3-11/h1-2,5H,3-4,11H2
InChIKeyLDMTUGOUEMZDDT-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.30
Rot. Bonds3

About 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine

2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine (PubChem CID 15871135) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine
PubChem CID15871135
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine
SMILESNCCOc1noc2ccc(F)cc12
InChIInChI=1S/C9H9FN2O2/c10-6-1-2-8-7(5-6)9(12-14-8)13-4-3-11/h1-2,5H,3-4,11H2
InChIKeyLDMTUGOUEMZDDT-UHFFFAOYSA-N
XLogP1.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzo[d]isoxazol-3-yl N,N-dimethylcarbamate
CID 2726312
3-(1-Benzyl-piperidin-4-ylmethoxy)-benzo[d]isoxazole
CID 10426283
(E)-2-[[4-(1,2-benzoxazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512176
(Z)-2-[[4-(1,2-benzoxazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369027
US10166214, Example 62
CID 117709158
4-Piperidin-4-yloxy-1,2-benzoxazol-3-amine
CID 45488660
3-Octoxy-1,2-benzoxazole
CID 57400169
1-Piperidinecarboxylic acid, 4-[[(4-fluoro-1,2-benzisoxazol-3-yl)oxy]methyl]-, 1,1-dimethylethyl ester
CID 67374102
3-Benzhydryloxy-1,2-benzoxazole
CID 399396
2-[(4,7-Dimethyl-1,2-benzoxazol-3-yl)oxy]ethanamine
CID 10220452
(5-methyl-1,2-benzoxazol-3-yl) N-ethylcarbamate
CID 2726335
5-Iodo-3-methoxy-7-methylbenzo[d]isoxazole
CID 11673680

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
The IUPAC name of 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine (CID 15871135) is 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
The canonical SMILES for 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine is NCCOc1noc2ccc(F)cc12.
What is the InChIKey of 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
The InChIKey is LDMTUGOUEMZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-6-1-2-8-7(5-6)9(12-14-8)13-4-3-11/h1-2,5H,3-4,11H2.
What are the key properties of 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine?
2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine has a molecular weight of 196.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethanamine is sourced from PubChem (CID 15871135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).