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

C19H23F3N6O — CID 155942025

IUPAC2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCN(c3cc(C4CCC4)nc(C4CC4)n3)CC2)o1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)18-26-25-16(29-18)11-27-6-8-28(9-7-27)15-10-14(12-2-1-3-12)23-17(24-15)13-4-5-13/h10,12-13H,1-9,11H2
InChIKeyKLRGKNNFVSUDGP-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.35
Rot. Bonds5

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

2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 155942025) has the molecular formula C19H23F3N6O and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID155942025
Molecular FormulaC19H23F3N6O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC Name2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCN(c3cc(C4CCC4)nc(C4CC4)n3)CC2)o1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)18-26-25-16(29-18)11-27-6-8-28(9-7-27)15-10-14(12-2-1-3-12)23-17(24-15)13-4-5-13/h10,12-13H,1-9,11H2
InChIKeyKLRGKNNFVSUDGP-UHFFFAOYSA-N
XLogP3.35
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 155942025) is 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CN2CCN(c3cc(C4CCC4)nc(C4CC4)n3)CC2)o1.
What is the InChIKey of 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is KLRGKNNFVSUDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O/c20-19(21,22)18-26-25-16(29-18)11-27-6-8-28(9-7-27)15-10-14(12-2-1-3-12)23-17(24-15)13-4-5-13/h10,12-13H,1-9,11H2.
What are the key properties of 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 408.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-cyclobutyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155942025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).