2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid

C9H7NO5 — CID 84676549

IUPAC2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1noc2c(O)cccc12
InChIInChI=1S/C9H7NO5/c11-6-3-1-2-5-8(6)15-10-9(5)14-4-7(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyJIMBLDBZCMNYEW-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.00
Rot. Bonds3

About 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid

2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid (PubChem CID 84676549) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
PubChem CID84676549
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1noc2c(O)cccc12
InChIInChI=1S/C9H7NO5/c11-6-3-1-2-5-8(6)15-10-9(5)14-4-7(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyJIMBLDBZCMNYEW-UHFFFAOYSA-N
XLogP1.00
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethoxy)-1,2-benzoxazol-7-ol
CID 84665269
3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
CID 84674857
7-hydroxy-1,2-benzoxazole-3-carboxylic acid
CID 84656727
2-[[38,39,40,41,42-pentakis(carboxymethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetic acid
CID 100979111
CID 131854846
CID 131854846
2-[(7-acetyl-3-methyl-1,2-benzoxazol-6-yl)oxy]acetic acid
CID 15563087
2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
2-(4-hydroxy-2-oxo-3-propan-2-yloxychromen-8-yl)oxyacetic acid
CID 54696938
2-[[7-chloro-3-(4-hydroxyphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 135575487
2-[2,6-bis(chloromethyl)phenoxy]acetic acid
CID 67248346
2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid
CID 84712811
2-[[3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 18351575

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid?
The IUPAC name of 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid (CID 84676549) is 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid is O=C(O)COc1noc2c(O)cccc12.
What is the InChIKey of 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid?
The InChIKey is JIMBLDBZCMNYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c11-6-3-1-2-5-8(6)15-10-9(5)14-4-7(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid?
2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid has a molecular weight of 209.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid is sourced from PubChem (CID 84676549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).