2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid

C15H17NO3 — CID 81357946

IUPAC2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
SMILESCC1(C)C(c2nc3cc(C(=O)O)ccc3o2)C1(C)C
InChIInChI=1S/C15H17NO3/c1-14(2)11(15(14,3)4)12-16-9-7-8(13(17)18)5-6-10(9)19-12/h5-7,11H,1-4H3,(H,17,18)
InChIKeyOIXPJTQMFZNCCD-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.68
Rot. Bonds2

About 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid

2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid (PubChem CID 81357946) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
PubChem CID81357946
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
SMILESCC1(C)C(c2nc3cc(C(=O)O)ccc3o2)C1(C)C
InChIInChI=1S/C15H17NO3/c1-14(2)11(15(14,3)4)12-16-9-7-8(13(17)18)5-6-10(9)19-12/h5-7,11H,1-4H3,(H,17,18)
InChIKeyOIXPJTQMFZNCCD-UHFFFAOYSA-N
XLogP3.68
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid (CID 81357946) is 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid is CC1(C)C(c2nc3cc(C(=O)O)ccc3o2)C1(C)C.
What is the InChIKey of 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is OIXPJTQMFZNCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-14(2)11(15(14,3)4)12-16-9-7-8(13(17)18)5-6-10(9)19-12/h5-7,11H,1-4H3,(H,17,18).
What are the key properties of 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid?
2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 81357946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).