2-phenyl-1,3-benzoxazole-6-carboxylic acid

C14H9NO3 — CID 10900714

IUPAC2-phenyl-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C14H9NO3/c16-14(17)10-6-7-11-12(8-10)18-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKeyICSRYAQXSYGQSJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.19
Rot. Bonds2

About 2-phenyl-1,3-benzoxazole-6-carboxylic acid

2-phenyl-1,3-benzoxazole-6-carboxylic acid (PubChem CID 10900714) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-phenyl-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1,3-benzoxazole-6-carboxylic acid
PubChem CID10900714
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-phenyl-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C14H9NO3/c16-14(17)10-6-7-11-12(8-10)18-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChIKeyICSRYAQXSYGQSJ-UHFFFAOYSA-N
XLogP3.19
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-phenyl-1,3-benzoxazole-6-carboxylic acid (CID 10900714) is 2-phenyl-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-phenyl-1,3-benzoxazole-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 2-phenyl-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is ICSRYAQXSYGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14(17)10-6-7-11-12(8-10)18-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,16,17).
What are the key properties of 2-phenyl-1,3-benzoxazole-6-carboxylic acid?
2-phenyl-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 10900714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).