2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

C11H16F3N3O4 — CID 171688139

IUPAC2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESCOCc1nnc(C2CCCCN2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3O2.C2HF3O2/c1-13-6-8-11-12-9(14-8)7-4-2-3-5-10-7;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3;(H,6,7)
InChIKeyIPVVSZWVPRJLRF-UHFFFAOYSA-N
MW311.26 g/mol
LogP1.66
Rot. Bonds3

About 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (PubChem CID 171688139) has the molecular formula C11H16F3N3O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
PubChem CID171688139
Molecular FormulaC11H16F3N3O4
Molecular Weight311.26 g/mol
Exact Mass311.11
IUPAC Name2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESCOCc1nnc(C2CCCCN2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3O2.C2HF3O2/c1-13-6-8-11-12-9(14-8)7-4-2-3-5-10-7;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3;(H,6,7)
InChIKeyIPVVSZWVPRJLRF-UHFFFAOYSA-N
XLogP1.66
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (CID 171688139) is 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is COCc1nnc(C2CCCCN2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is IPVVSZWVPRJLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.C2HF3O2/c1-13-6-8-11-12-9(14-8)7-4-2-3-5-10-7;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3;(H,6,7).
What are the key properties of 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 311.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171688139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).