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

C10H15FN2O — CID 84774913

IUPAC5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESFCc1cnc(CC2CCNCC2)o1
InChIInChI=1S/C10H15FN2O/c11-6-9-7-13-10(14-9)5-8-1-3-12-4-2-8/h7-8,12H,1-6H2
InChIKeyRJPNXLGFAVULDD-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.69
Rot. Bonds3

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

5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (PubChem CID 84774913) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
PubChem CID84774913
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESFCc1cnc(CC2CCNCC2)o1
InChIInChI=1S/C10H15FN2O/c11-6-9-7-13-10(14-9)5-8-1-3-12-4-2-8/h7-8,12H,1-6H2
InChIKeyRJPNXLGFAVULDD-UHFFFAOYSA-N
XLogP1.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (CID 84774913) is 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is FCc1cnc(CC2CCNCC2)o1.
What is the InChIKey of 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The InChIKey is RJPNXLGFAVULDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-6-9-7-13-10(14-9)5-8-1-3-12-4-2-8/h7-8,12H,1-6H2.
What are the key properties of 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole has a molecular weight of 198.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84774913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).