2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

C14H17F3N6O — CID 155941730

IUPAC2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3nnc(C)o3)CC2)n1
InChIInChI=1S/C14H17F3N6O/c1-9-7-11(14(15,16)17)19-13(18-9)23-5-3-22(4-6-23)8-12-21-20-10(2)24-12/h7H,3-6,8H2,1-2H3
InChIKeyAIPNKHDNLOMDQX-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.82
Rot. Bonds3

About 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 155941730) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID155941730
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc(N2CCN(Cc3nnc(C)o3)CC2)n1
InChIInChI=1S/C14H17F3N6O/c1-9-7-11(14(15,16)17)19-13(18-9)23-5-3-22(4-6-23)8-12-21-20-10(2)24-12/h7H,3-6,8H2,1-2H3
InChIKeyAIPNKHDNLOMDQX-UHFFFAOYSA-N
XLogP1.82
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 155941730) is 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1cc(C(F)(F)F)nc(N2CCN(Cc3nnc(C)o3)CC2)n1.
What is the InChIKey of 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is AIPNKHDNLOMDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-9-7-11(14(15,16)17)19-13(18-9)23-5-3-22(4-6-23)8-12-21-20-10(2)24-12/h7H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 342.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155941730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).