2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid

C14H7ClFNO3 — CID 82719722

IUPAC2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C14H7ClFNO3/c15-9-5-11-12(6-10(9)16)20-13(17-11)7-3-1-2-4-8(7)14(18)19/h1-6H,(H,18,19)
InChIKeyROCKAACTAQMBFR-UHFFFAOYSA-N
MW291.67 g/mol
LogP3.99
Rot. Bonds2

About 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid

2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid (PubChem CID 82719722) has the molecular formula C14H7ClFNO3 and a molecular weight of 291.67 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid
PubChem CID82719722
Molecular FormulaC14H7ClFNO3
Molecular Weight291.67 g/mol
Exact Mass291.01
IUPAC Name2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C14H7ClFNO3/c15-9-5-11-12(6-10(9)16)20-13(17-11)7-3-1-2-4-8(7)14(18)19/h1-6H,(H,18,19)
InChIKeyROCKAACTAQMBFR-UHFFFAOYSA-N
XLogP3.99
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone
CID 122383206
2-[6-(3,4-dichlorophenoxy)-1,3-benzoxazol-2-yl]benzoic acid;propan-2-amine
CID 70429921
5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82720968
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine
CID 82720653
N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 3118999
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 104786517
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299124
1-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid?
The IUPAC name of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid (CID 82719722) is 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid.
What is the SMILES notation for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid?
The canonical SMILES for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid is O=C(O)c1ccccc1-c1nc2cc(Cl)c(F)cc2o1.
What is the InChIKey of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid?
The InChIKey is ROCKAACTAQMBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO3/c15-9-5-11-12(6-10(9)16)20-13(17-11)7-3-1-2-4-8(7)14(18)19/h1-6H,(H,18,19).
What are the key properties of 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid?
2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid has a molecular weight of 291.67 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid is sourced from PubChem (CID 82719722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).