2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid

C14H9ClN2O4 — CID 13015695

IUPAC2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccccn3)noc2c1Cl
InChIInChI=1S/C14H9ClN2O4/c15-12-10(20-7-11(18)19)5-4-8-13(17-21-14(8)12)9-3-1-2-6-16-9/h1-6H,7H2,(H,18,19)
InChIKeyOKEOLNZBCUHLQJ-UHFFFAOYSA-N
MW304.69 g/mol
LogP3.01
Rot. Bonds4

About 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid

2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid (PubChem CID 13015695) has the molecular formula C14H9ClN2O4 and a molecular weight of 304.69 g/mol. Its IUPAC name is 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid
PubChem CID13015695
Molecular FormulaC14H9ClN2O4
Molecular Weight304.69 g/mol
Exact Mass304.03
IUPAC Name2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid
SMILESO=C(O)COc1ccc2c(-c3ccccn3)noc2c1Cl
InChIInChI=1S/C14H9ClN2O4/c15-12-10(20-7-11(18)19)5-4-8-13(17-21-14(8)12)9-3-1-2-6-16-9/h1-6H,7H2,(H,18,19)
InChIKeyOKEOLNZBCUHLQJ-UHFFFAOYSA-N
XLogP3.01
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid 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

3-[5-Chloranyl-6-[(1~{r})-1-Pyridin-2-Ylethoxy]-1,2-Benzoxazol-3-Yl]propanoic Acid
CID 121415134
(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-[4-(pyridin-2-ylmethoxy)-phenyl]-acetic acid
CID 10208599
3-[5-chloro-6-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 121415041
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-[(1R)-1-(5-methyl-2-pyridinyl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 137634379
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-[(1R)-1-(5-chloro-2-pyridinyl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 137638082
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-[(1R)-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 137658639
(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-[4-(2-pyridin-2-yl-ethyl)-phenyl]-acetic acid
CID 44337866
3-[5-chloro-6-[(1R)-1-(5-methyl-2-pyridinyl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid;hydrochloride
CID 137655344
2-aminoethanol;3-[5-chloro-6-[(1R)-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 121415166
3-[5-chloro-6-[(1R)-1-(5-chloro-2-pyridinyl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 121415063
3-[5-chloro-6-[(1R)-1-(5-methyl-2-pyridinyl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 121415130
2-[[7-Chloro-3-(1-oxidopyridin-1-ium-2-yl)-1,2-benzoxazol-6-yl]oxy]acetic acid
CID 13015696

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid?
The IUPAC name of 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid (CID 13015695) is 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid?
The canonical SMILES for 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid is O=C(O)COc1ccc2c(-c3ccccn3)noc2c1Cl.
What is the InChIKey of 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid?
The InChIKey is OKEOLNZBCUHLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4/c15-12-10(20-7-11(18)19)5-4-8-13(17-21-14(8)12)9-3-1-2-6-16-9/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid?
2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid has a molecular weight of 304.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-3-pyridin-2-yl-1,2-benzoxazol-6-yl)oxy]acetic acid is sourced from PubChem (CID 13015695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).