2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C14H16F3N5O — CID 171704255

IUPAC2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)13-20-19-12(23-13)10-22-7-5-21(6-8-22)9-11-3-1-2-4-18-11/h1-4H,5-10H2
InChIKeyHMRBNPWMBGAMFR-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.80
Rot. Bonds4

About 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 171704255) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID171704255
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)13-20-19-12(23-13)10-22-7-5-21(6-8-22)9-11-3-1-2-4-18-11/h1-4H,5-10H2
InChIKeyHMRBNPWMBGAMFR-UHFFFAOYSA-N
XLogP1.80
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 171704255) is 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CN2CCN(Cc3ccccn3)CC2)o1.
What is the InChIKey of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is HMRBNPWMBGAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)13-20-19-12(23-13)10-22-7-5-21(6-8-22)9-11-3-1-2-4-18-11/h1-4H,5-10H2.
What are the key properties of 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 327.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171704255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).