3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid

C14H8ClNO4 — CID 54207586

IUPAC3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C14H8ClNO4/c15-9-4-5-12-11(7-9)16-14(20-12)19-10-3-1-2-8(6-10)13(17)18/h1-7H,(H,17,18)
InChIKeyPTPZTJSFMLUAJB-UHFFFAOYSA-N
MW289.67 g/mol
LogP3.97
Rot. Bonds3

About 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid

3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid (PubChem CID 54207586) has the molecular formula C14H8ClNO4 and a molecular weight of 289.67 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid.

Molecular Properties

Compound Name3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid
PubChem CID54207586
Molecular FormulaC14H8ClNO4
Molecular Weight289.67 g/mol
Exact Mass289.01
IUPAC Name3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C14H8ClNO4/c15-9-4-5-12-11(7-9)16-14(20-12)19-10-3-1-2-8(6-10)13(17)18/h1-7H,(H,17,18)
InChIKeyPTPZTJSFMLUAJB-UHFFFAOYSA-N
XLogP3.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690057
2-(3-ethylphenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690133
2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690306
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
6-chloro-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-1,3-benzoxazole
CID 86114524
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
CID 23500327
(2R)-N-(5-chloro-1,3-benzoxazol-2-yl)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-methylpropanamide
CID 68764158
3-[[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 122028708
3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid?
The IUPAC name of 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid (CID 54207586) is 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid.
What is the SMILES notation for 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid?
The canonical SMILES for 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid is O=C(O)c1cccc(Oc2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid?
The InChIKey is PTPZTJSFMLUAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO4/c15-9-4-5-12-11(7-9)16-14(20-12)19-10-3-1-2-8(6-10)13(17)18/h1-7H,(H,17,18).
What are the key properties of 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid?
3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid has a molecular weight of 289.67 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid is sourced from PubChem (CID 54207586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).