1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid

C13H13FN2O3 — CID 122047375

IUPAC1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc3c(F)cccc3o2)CC1
InChIInChI=1S/C13H13FN2O3/c14-9-2-1-3-10-11(9)15-13(19-10)16-6-4-8(5-7-16)12(17)18/h1-3,8H,4-7H2,(H,17,18)
InChIKeyVUQFQCIEDVNGBX-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.27
Rot. Bonds2

About 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid

1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 122047375) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
PubChem CID122047375
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc3c(F)cccc3o2)CC1
InChIInChI=1S/C13H13FN2O3/c14-9-2-1-3-10-11(9)15-13(19-10)16-6-4-8(5-7-16)12(17)18/h1-3,8H,4-7H2,(H,17,18)
InChIKeyVUQFQCIEDVNGBX-UHFFFAOYSA-N
XLogP2.27
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122051706
4-fluoro-2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,3-benzoxazole
CID 138019173
N-[1-[1-(4-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropyl]-2-(furan-3-yl)acetamide
CID 138049018
[4-(4-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 146090843
1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563709
1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 138008387
[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 136537402
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79890107
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16590590

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid (CID 122047375) is 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nc3c(F)cccc3o2)CC1.
What is the InChIKey of 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is VUQFQCIEDVNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-9-2-1-3-10-11(9)15-13(19-10)16-6-4-8(5-7-16)12(17)18/h1-3,8H,4-7H2,(H,17,18).
What are the key properties of 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid?
1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122047375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).