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

C10H13F3N2O — CID 105493989

IUPAC2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8-6-15-9(16-8)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2
InChIKeyXLEIDULZWOMZDL-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.24
Rot. Bonds2

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

2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 105493989) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
PubChem CID105493989
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8-6-15-9(16-8)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2
InChIKeyXLEIDULZWOMZDL-UHFFFAOYSA-N
XLogP2.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 145850734
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CID 82665108
CID 82665108
CID 84769394
CID 84769394
CID 84769396
CID 84769396
CID 84769397
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CID 84774913
CID 84774913
CID 84774914
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CID 84776687
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CID 84776689
CID 84776689

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole (CID 105493989) is 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1cnc(CC2CCNCC2)o1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is XLEIDULZWOMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)8-6-15-9(16-8)5-7-1-3-14-4-2-7/h6-7,14H,1-5H2.
What are the key properties of 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole?
2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105493989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).