2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid

C13H14N2O3 — CID 82384588

IUPAC2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCCCN3)nc2c1
InChIInChI=1S/C13H14N2O3/c16-13(17)8-4-5-11-10(7-8)15-12(18-11)9-3-1-2-6-14-9/h4-5,7,9,14H,1-3,6H2,(H,16,17)
InChIKeyYCBWYEFZMFXFBJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.34
Rot. Bonds2

About 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid

2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid (PubChem CID 82384588) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
PubChem CID82384588
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCCCN3)nc2c1
InChIInChI=1S/C13H14N2O3/c16-13(17)8-4-5-11-10(7-8)15-12(18-11)9-3-1-2-6-14-9/h4-5,7,9,14H,1-3,6H2,(H,16,17)
InChIKeyYCBWYEFZMFXFBJ-UHFFFAOYSA-N
XLogP2.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
2-(2-methylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357730
5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
2-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357946
2-(2-bicyclo[2.2.1]heptanyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358583
6-[2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175723116
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230711
6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
CID 102696403
N,N-bis[[2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]methyl]aniline
CID 66750202

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid?
The IUPAC name of 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid (CID 82384588) is 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid.
What is the SMILES notation for 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid?
The canonical SMILES for 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid is O=C(O)c1ccc2oc(C3CCCCN3)nc2c1.
What is the InChIKey of 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid?
The InChIKey is YCBWYEFZMFXFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(17)8-4-5-11-10(7-8)15-12(18-11)9-3-1-2-6-14-9/h4-5,7,9,14H,1-3,6H2,(H,16,17).
What are the key properties of 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid?
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid is sourced from PubChem (CID 82384588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).