2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid

C15H10FNO4 — CID 81332827

IUPAC2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
SMILESCOc1ccc(-c2nc3cccc(C(=O)O)c3o2)cc1F
InChIInChI=1S/C15H10FNO4/c1-20-12-6-5-8(7-10(12)16)14-17-11-4-2-3-9(15(18)19)13(11)21-14/h2-7H,1H3,(H,18,19)
InChIKeyOHYJJXIBMAXTKZ-UHFFFAOYSA-N
MW287.25 g/mol
LogP3.34
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid

2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid (PubChem CID 81332827) has the molecular formula C15H10FNO4 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
PubChem CID81332827
Molecular FormulaC15H10FNO4
Molecular Weight287.25 g/mol
Exact Mass287.06
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
SMILESCOc1ccc(-c2nc3cccc(C(=O)O)c3o2)cc1F
InChIInChI=1S/C15H10FNO4/c1-20-12-6-5-8(7-10(12)16)14-17-11-4-2-3-9(15(18)19)13(11)21-14/h2-7H,1H3,(H,18,19)
InChIKeyOHYJJXIBMAXTKZ-UHFFFAOYSA-N
XLogP3.34
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81334050
2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid
CID 158103086
2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 59625768
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
2-(4-bromo-2-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 115370381
4-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198823
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
7-ethenyl-2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-ol
CID 59741629
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-7-carboxylic acid
CID 81479408
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid
CID 118809335
2-(3-bromo-5-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 107944004

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid (CID 81332827) is 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid is COc1ccc(-c2nc3cccc(C(=O)O)c3o2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid?
The InChIKey is OHYJJXIBMAXTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4/c1-20-12-6-5-8(7-10(12)16)14-17-11-4-2-3-9(15(18)19)13(11)21-14/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid?
2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazole-7-carboxylic acid is sourced from PubChem (CID 81332827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).