3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid

C14H8ClNO3 — CID 81434008

IUPAC3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nc3ccc(Cl)cc3o2)c1
InChIInChI=1S/C14H8ClNO3/c15-10-4-5-11-12(7-10)19-13(16-11)8-2-1-3-9(6-8)14(17)18/h1-7H,(H,17,18)
InChIKeyDZOSBWBRQKFWRF-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.85
Rot. Bonds2

About 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid

3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid (PubChem CID 81434008) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
PubChem CID81434008
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nc3ccc(Cl)cc3o2)c1
InChIInChI=1S/C14H8ClNO3/c15-10-4-5-11-12(7-10)19-13(16-11)8-2-1-3-9(6-8)14(17)18/h1-7H,(H,17,18)
InChIKeyDZOSBWBRQKFWRF-UHFFFAOYSA-N
XLogP3.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzoxazol-2-yl)benzoic acid;carbon dioxide
CID 158023892
2-(3,4-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 59626001
(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
CID 142481869
3-[6-(1,3-dihydroisoindol-2-yl)-1,3-benzoxazol-2-yl]benzoic acid
CID 11631767
3-[6-(2-oxoazetidin-1-yl)-1,3-benzoxazol-2-yl]benzoic acid
CID 11601984
3-aminobenzoic acid;3-(1,3-benzoxazol-2-yl)aniline
CID 142801816
3-[6-(1,2,4-triazol-1-yl)-1,3-benzoxazol-2-yl]benzoic acid
CID 11507790
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557
3-[6-(2-phenylethylamino)-1,3-benzoxazol-2-yl]benzoic acid
CID 11581243
3-(5-nitro-1,3-benzoxazol-2-yl)benzoic acid
CID 95911865
3-[6-(6-hydroxyhexylamino)-1,3-benzoxazol-2-yl]benzoic acid
CID 11508652
heptan-1-ol;3-(6-methyl-1,3-benzoxazol-2-yl)benzoic acid
CID 143910344

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid?
The IUPAC name of 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid (CID 81434008) is 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid.
What is the SMILES notation for 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid?
The canonical SMILES for 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid is O=C(O)c1cccc(-c2nc3ccc(Cl)cc3o2)c1.
What is the InChIKey of 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid?
The InChIKey is DZOSBWBRQKFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-10-4-5-11-12(7-10)19-13(16-11)8-2-1-3-9(6-8)14(17)18/h1-7H,(H,17,18).
What are the key properties of 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid?
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid has a molecular weight of 273.68 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid is sourced from PubChem (CID 81434008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).