2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid

C14H7F2NO3 — CID 10869520

IUPAC2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(-c3c(F)cccc3F)nc12
InChIInChI=1S/C14H7F2NO3/c15-8-4-2-5-9(16)11(8)13-17-12-7(14(18)19)3-1-6-10(12)20-13/h1-6H,(H,18,19)
InChIKeySYQQJVHDLFNSNY-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.47
Rot. Bonds2

About 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid

2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid (PubChem CID 10869520) has the molecular formula C14H7F2NO3 and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
PubChem CID10869520
Molecular FormulaC14H7F2NO3
Molecular Weight275.21 g/mol
Exact Mass275.04
IUPAC Name2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(O)c1cccc2oc(-c3c(F)cccc3F)nc12
InChIInChI=1S/C14H7F2NO3/c15-8-4-2-5-9(16)11(8)13-17-12-7(14(18)19)3-1-6-10(12)20-13/h1-6H,(H,18,19)
InChIKeySYQQJVHDLFNSNY-UHFFFAOYSA-N
XLogP3.47
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
2-(3-fluoro-4-pyridinyl)-1,3-benzoxazole-4-carboxylic acid
CID 81346439
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-(5-chloro-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 82890846
2-(3-iodophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345889
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 81345740
2-(3-bromo-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345978
2-[4-[2-[4-(4-carboxy-1,3-benzoxazol-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 162354685
2-(3,6-dimethylpyridazin-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 104673209
2-(hydroxymethyl)-1,3-benzoxazole-4-carboxylic acid
CID 81346660
2-(2,2,2-trifluoroethyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345979
2-(2-bromo-5-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345820

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid (CID 10869520) is 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid is O=C(O)c1cccc2oc(-c3c(F)cccc3F)nc12.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is SYQQJVHDLFNSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO3/c15-8-4-2-5-9(16)11(8)13-17-12-7(14(18)19)3-1-6-10(12)20-13/h1-6H,(H,18,19).
What are the key properties of 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid?
2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 275.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 10869520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).