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

C10H13F3N2O — CID 83850637

IUPAC5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(CC2CCCCN2)on1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-6-8(16-15-9)5-7-3-1-2-4-14-7/h6-7,14H,1-5H2
InChIKeyOGOXPKNBXPCFSP-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.38
Rot. Bonds2

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

5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 83850637) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID83850637
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(CC2CCCCN2)on1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)9-6-8(16-15-9)5-7-3-1-2-4-14-7/h6-7,14H,1-5H2
InChIKeyOGOXPKNBXPCFSP-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
1-[5-(piperidin-2-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115094175
5-[(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-3-(trifluoromethyl)-1,2-oxazole
CID 18800626
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
5-(pyrrolidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 119947933
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473840
2-[[2,5-bis(methylsulfanyl)-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 178136976
7-(piperidin-2-ylmethyl)-4-(trifluoromethyl)isoquinoline
CID 117474742
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole (CID 83850637) is 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(CC2CCCCN2)on1.
What is the InChIKey of 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is OGOXPKNBXPCFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)9-6-8(16-15-9)5-7-3-1-2-4-14-7/h6-7,14H,1-5H2.
What are the key properties of 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole?
5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 83850637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).