2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid

C15H15NO3 — CID 81358583

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CC4CCC3C4)nc2c1
InChIInChI=1S/C15H15NO3/c17-15(18)10-3-4-13-12(7-10)16-14(19-13)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,17,18)
InChIKeyGLYRIZQUNIPPGE-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.43
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid

2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid (PubChem CID 81358583) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid
PubChem CID81358583
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CC4CCC3C4)nc2c1
InChIInChI=1S/C15H15NO3/c17-15(18)10-3-4-13-12(7-10)16-14(19-13)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,17,18)
InChIKeyGLYRIZQUNIPPGE-UHFFFAOYSA-N
XLogP3.43
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357730
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357946
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81340884
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
2-[4-[cyclopropyl(methyl)carbamoyl]piperazin-1-yl]-1,3-benzoxazole-5-carboxylic acid
CID 166312943
2-(methylamino)-1,3-benzoxazole-5-carboxylic acid
CID 83829974
2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358691
2-(1,1,2,2,2-pentafluoroethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357728

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid (CID 81358583) is 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(C3CC4CCC3C4)nc2c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is GLYRIZQUNIPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)10-3-4-13-12(7-10)16-14(19-13)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid?
2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 81358583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).