2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid

C15H19FN2O3 — CID 70471966

IUPAC2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid
SMILESCN1CCC(C2(CC(=O)O)NOc3cc(F)ccc32)CC1
InChIInChI=1S/C15H19FN2O3/c1-18-6-4-10(5-7-18)15(9-14(19)20)12-3-2-11(16)8-13(12)21-17-15/h2-3,8,10,17H,4-7,9H2,1H3,(H,19,20)
InChIKeyJBBBUHXBSKQJFE-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.73
Rot. Bonds3

About 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid

2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid (PubChem CID 70471966) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid
PubChem CID70471966
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid
SMILESCN1CCC(C2(CC(=O)O)NOc3cc(F)ccc32)CC1
InChIInChI=1S/C15H19FN2O3/c1-18-6-4-10(5-7-18)15(9-14(19)20)12-3-2-11(16)8-13(12)21-17-15/h2-3,8,10,17H,4-7,9H2,1H3,(H,19,20)
InChIKeyJBBBUHXBSKQJFE-UHFFFAOYSA-N
XLogP1.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid (CID 70471966) is 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid is CN1CCC(C2(CC(=O)O)NOc3cc(F)ccc32)CC1.
What is the InChIKey of 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid?
The InChIKey is JBBBUHXBSKQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-18-6-4-10(5-7-18)15(9-14(19)20)12-3-2-11(16)8-13(12)21-17-15/h2-3,8,10,17H,4-7,9H2,1H3,(H,19,20).
What are the key properties of 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid?
2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid has a molecular weight of 294.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid is sourced from PubChem (CID 70471966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).