5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole

C10H14F2N2O — CID 84784628

IUPAC5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESFC(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C10H14F2N2O/c11-10(12)8-6-14-9(15-8)5-7-1-3-13-4-2-7/h6-7,10,13H,1-5H2
InChIKeyXNCLQKRPRXBERM-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.15
Rot. Bonds3

About 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole

5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (PubChem CID 84784628) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
PubChem CID84784628
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESFC(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C10H14F2N2O/c11-10(12)8-6-14-9(15-8)5-7-1-3-13-4-2-7/h6-7,10,13H,1-5H2
InChIKeyXNCLQKRPRXBERM-UHFFFAOYSA-N
XLogP2.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (CID 84784628) is 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is FC(F)c1cnc(CC2CCNCC2)o1.
What is the InChIKey of 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The InChIKey is XNCLQKRPRXBERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c11-10(12)8-6-14-9(15-8)5-7-1-3-13-4-2-7/h6-7,10,13H,1-5H2.
What are the key properties of 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole has a molecular weight of 216.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84784628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).