5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole

C13H15FN2O — CID 114425040

IUPAC5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
SMILESCC1CCNC(c2nc3cc(F)ccc3o2)C1
InChIInChI=1S/C13H15FN2O/c1-8-4-5-15-11(6-8)13-16-10-7-9(14)2-3-12(10)17-13/h2-3,7-8,11,15H,4-6H2,1H3
InChIKeyIWFCVHKUSDMHBI-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.03
Rot. Bonds1

About 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole

5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole (PubChem CID 114425040) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
PubChem CID114425040
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole
SMILESCC1CCNC(c2nc3cc(F)ccc3o2)C1
InChIInChI=1S/C13H15FN2O/c1-8-4-5-15-11(6-8)13-16-10-7-9(14)2-3-12(10)17-13/h2-3,7-8,11,15H,4-6H2,1H3
InChIKeyIWFCVHKUSDMHBI-UHFFFAOYSA-N
XLogP3.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole (CID 114425040) is 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole is CC1CCNC(c2nc3cc(F)ccc3o2)C1.
What is the InChIKey of 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole?
The InChIKey is IWFCVHKUSDMHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-4-5-15-11(6-8)13-16-10-7-9(14)2-3-12(10)17-13/h2-3,7-8,11,15H,4-6H2,1H3.
What are the key properties of 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole?
5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole has a molecular weight of 234.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylpiperidin-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 114425040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).