3-(2-aminoethoxy)-1,2-benzoxazol-7-ol

C9H10N2O3 — CID 84665269

IUPAC3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
SMILESNCCOc1noc2c(O)cccc12
InChIInChI=1S/C9H10N2O3/c10-4-5-13-9-6-2-1-3-7(12)8(6)14-11-9/h1-3,12H,4-5,10H2
InChIKeyXYMVMNLLYUYSFG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.87
Rot. Bonds3

About 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol

3-(2-aminoethoxy)-1,2-benzoxazol-7-ol (PubChem CID 84665269) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
PubChem CID84665269
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
SMILESNCCOc1noc2c(O)cccc12
InChIInChI=1S/C9H10N2O3/c10-4-5-13-9-6-2-1-3-7(12)8(6)14-11-9/h1-3,12H,4-5,10H2
InChIKeyXYMVMNLLYUYSFG-UHFFFAOYSA-N
XLogP0.87
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-phenyl-1,2-benzoxazol-3-yl)oxy]ethanamine
CID 10377607
2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
CID 84676549
3-(2-aminoethoxy)-1,2-benzoxazole-4-carboxamide
CID 18696060
3-(2-aminoethoxy)-5-chloro-1,2-benzoxazole-7-carboxamide
CID 18696123
2-[(5-nitro-1,2-benzoxazol-3-yl)oxy]ethanamine
CID 15871136
2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
CID 19596727
3-(2-aminopropyl)-1,2-benzoxazol-7-ol
CID 84663914
3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile
CID 10420409
7-hydroxy-1,2-benzoxazole-3-carboxylic acid
CID 84656727
N-(2-aminoethoxy)-1,2-benzoxazol-3-amine
CID 18696093
3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
CID 84674857
3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 89478768

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
The IUPAC name of 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol (CID 84665269) is 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol.
What is the SMILES notation for 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
The canonical SMILES for 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol is NCCOc1noc2c(O)cccc12.
What is the InChIKey of 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
The InChIKey is XYMVMNLLYUYSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-4-5-13-9-6-2-1-3-7(12)8(6)14-11-9/h1-3,12H,4-5,10H2.
What are the key properties of 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol?
3-(2-aminoethoxy)-1,2-benzoxazol-7-ol has a molecular weight of 194.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1,2-benzoxazol-7-ol is sourced from PubChem (CID 84665269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).